data_2cqk_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 2cqk _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 ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.86 -36.56 72.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.02 -44.68 79.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -64.98 -43.21 93.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.19 -44.98 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.18 -41.14 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -63.04 -40.31 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -67.01 -36.3 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.1 mm-40 -64.11 -49.78 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 87' ' ' VAL . 98.6 mt -64.86 -44.35 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -64.59 -45.77 85.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 13.5 t80 -67.72 -42.01 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 m -62.71 -31.83 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.519 ' CD2' HG12 ' A' ' 113' ' ' VAL . 12.2 m-85 -93.85 0.49 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -60.24 157.12 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.53 -45.59 93.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.54 -43.75 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.4 t30 -65.41 -39.03 91.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.41 -44.78 93.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -77.41 -16.66 58.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -90.29 -30.11 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -91.69 85.37 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.68 -32.81 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.96 -45.77 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -58.11 -44.59 87.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.77 -38.6 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -68.13 -27.14 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -83.87 -26.5 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.7 mtt -47.88 172.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.9 t0 -105.12 -175.49 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 -38.31 84.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -92.6 33.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 54.02 49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.1 m-85 -121.42 137.31 54.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 47.7 mt -107.45 138.11 19.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.0 Cg_endo -69.78 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.429 HD11 ' CD2' ' A' ' 104' ' ' LEU . 44.9 mt -60.85 -31.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.537 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.9 p-90 -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.423 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 3.6 m -62.09 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.458 HG11 ' CD2' ' A' ' 57' ' ' LEU . 95.4 t -72.03 -40.34 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -18.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.01 -14.71 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 mtt -53.34 136.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.96 -51.34 70.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.29 -42.18 90.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.26 -31.24 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -73.35 -40.09 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -73.1 -29.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 82.8 mt -83.53 -34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.46 HG23 ' CD2' ' A' ' 102' ' ' LEU . 30.7 m -155.52 138.58 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -118.06 16.42 14.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -115.27 130.69 24.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -40.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 97' ' ' THR . 21.4 tp -64.85 -46.6 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.22 -46.2 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 84' ' ' ILE . 30.3 mt -58.34 -40.69 82.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.9 tt0 -63.82 -41.34 97.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.56 -44.15 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.3 mt -66.01 -48.87 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.49 -24.57 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 16.9 m -76.42 -27.43 56.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -95.66 141.4 23.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PRO . 46.8 mtp -36.25 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.519 HG12 ' CD2' ' A' ' 61' ' ' PHE . 33.5 m -127.96 161.18 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -144.03 125.3 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -100.06 127.73 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.8 t70 -44.99 134.86 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ASP . 36.4 mt-10 -35.69 -44.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -68.82 -46.9 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 102.58 61.58 0.72 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.401 ' C ' HD12 ' A' ' 84' ' ' ILE . 25.2 mt-10 -130.22 -32.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -139.81 146.68 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.8 p -130.26 139.79 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.9 ptt180 -131.2 144.6 54.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 115.26 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.19 -43.06 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.06 -46.05 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.86 -39.12 87.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.1 m -67.73 -50.17 58.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 106' ' ' VAL . 8.3 tp -60.06 -40.28 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -62.6 -41.96 99.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.933 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -67.17 -35.04 78.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.461 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 25.8 mm-40 -65.5 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.08 -45.79 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.34 -45.91 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 64.7 t80 -66.9 -39.48 87.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.424 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.7 m -65.8 -33.35 75.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 5.9 m-85 -89.98 1.22 56.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 t -61.33 154.21 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -61.22 -45.84 92.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -70.43 -41.73 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 t30 -63.84 -42.54 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 72' ' ' LEU . 55.7 mt -64.49 -45.47 87.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -62.72 -34.18 76.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -82.54 -27.89 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.67 85.29 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.61 -32.61 71.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.06 -46.54 74.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 66' ' ' LEU . 12.5 tp -60.28 -41.97 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.86 -35.84 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -69.25 -29.69 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -84.78 -25.6 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.427 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 26.2 mtt -47.5 171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.17 -175.12 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.9 m -63.78 -39.29 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 30.06 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 56.72 44.19 24.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 123' ' ' ARG . 22.8 m-85 -111.45 138.75 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.56 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 25.6 mt -113.4 136.64 21.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.2 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.84 -30.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.473 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 6.5 m -64.18 -43.17 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.02 -36.62 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.93 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -83.98 -22.03 31.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.408 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.3 mtt -46.56 134.97 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.59 -51.33 70.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.89 -44.41 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -62.56 -35.89 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -70.2 -45.9 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.34 -28.02 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.1 mt -91.47 -33.23 15.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.424 ' CB ' HD23 ' A' ' 53' ' ' LEU . 16.1 m -156.02 131.87 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.2 p -123.72 41.21 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -137.63 137.13 21.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.92 -38.18 87.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.46 -47.64 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.56 -48.7 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.46 -41.25 96.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 53' ' ' LEU . 95.4 t -64.85 -46.6 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.11 -49.02 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.408 ' CG ' ' HB ' ' A' ' 115' ' ' VAL . 58.6 mtt180 -70.14 -22.33 63.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -79.49 -28.06 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -94.09 134.41 25.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.68 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.778 2.319 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.7 mtp -39.43 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' PRO . 11.6 m -128.44 160.28 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -144.07 129.43 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.408 ' HB ' ' CG ' ' A' ' 108' ' ' ARG . 18.3 t -98.41 132.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.73 158.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.79 -28.56 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -77.76 -45.6 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.36 53.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.01 -34.36 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -136.89 150.67 48.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.528 HG13 ' CZ ' ' A' ' 61' ' ' PHE . 7.8 p -127.31 140.28 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 81' ' ' PHE . 8.2 ptm180 -128.08 146.86 60.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 106.76 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.759 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 -46.53 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.77 -44.64 95.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.25 -44.25 92.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.51 -40.23 90.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.98 -49.88 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -59.91 -41.18 91.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -62.92 -40.82 98.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.8 mm100 -67.53 -48.73 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.02 -43.98 90.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -45.62 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.35 -39.22 78.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 m -66.61 -30.25 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD2' HG11 ' A' ' 113' ' ' VAL . 7.8 m-85 -90.29 -0.17 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.1 p -65.95 157.38 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.12 -36.73 80.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.87 -43.87 74.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 4.2 t30 -71.61 -36.67 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 67.8 mt -64.26 -38.88 92.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -79.89 -27.24 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -89.46 -13.67 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 34.8 t0 -102.18 79.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.7 -33.42 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -64.36 -46.96 81.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 66' ' ' LEU . 12.2 tp -59.81 -44.09 94.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.978 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 65.3 mt -65.54 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.79 -30.35 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.16 -26.96 32.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.419 ' HE3' ' CD1' ' A' ' 82' ' ' ILE . 19.8 mtt -52.56 160.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 20.3 p30 -105.85 176.9 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -56.84 -26.99 59.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 2.1 m-20 -91.21 26.09 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.446 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 8.3 mm-40 45.04 27.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 10.8 m-85 -104.39 137.75 41.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 72.0 mt -103.53 138.54 19.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 52.6 Cg_endo -69.87 135.9 31.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mt -62.87 -32.62 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -60.08 -37.96 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -65.18 -44.9 86.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.27 -45.09 97.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -21.9 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.69 -17.21 42.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.2 mtt -50.06 135.51 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -57.67 -49.87 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.69 -46.0 87.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -60.88 -35.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -69.71 -40.37 76.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -66.95 -29.77 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mt -88.1 -36.93 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.445 HG22 ' CD2' ' A' ' 102' ' ' LEU . 37.7 m -158.24 131.69 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.99 28.78 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -120.28 133.4 23.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.82 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 97' ' ' THR . 25.7 tp -63.84 -45.68 88.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.58 -43.62 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.53 -35.93 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.994 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.38 -44.28 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.1 mt -65.95 -48.03 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -71.25 -21.54 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.7 t -85.81 -21.55 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t -96.31 134.53 23.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.738 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.87 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 mtp -39.92 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.567 HG11 ' CD2' ' A' ' 61' ' ' PHE . 18.6 m -128.64 157.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -145.04 124.54 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.2 t -96.07 134.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -42.01 143.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -43.24 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -72.05 -44.6 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.51 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -118.98 -29.29 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -140.17 149.42 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 123' ' ' ARG . 4.8 p -130.3 144.38 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.56 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 9.0 ptm180 -138.52 146.11 49.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.73 2.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 -179.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -33.33 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.61 -46.21 59.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.96 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.52 -42.94 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.49 -47.74 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.01 -39.76 86.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.21 -42.52 99.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -66.99 -35.22 79.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 34.3 mm-40 -67.41 -48.56 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 107' ' ' LEU . 86.5 mt -64.7 -44.38 90.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.56 -45.84 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 65.4 t80 -65.98 -47.66 73.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 50.6 m -57.49 -39.19 75.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.86 0.85 45.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -61.16 153.67 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 5.5 mmm180 -58.31 -45.74 87.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -70.89 -43.83 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -62.45 -38.8 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.487 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 29.5 mt -66.61 -45.39 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -66.6 -25.27 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -90.82 -27.93 18.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -89.5 76.58 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.8 -31.39 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.53 -46.74 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.91 -42.47 98.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 53.6 mt -65.86 -37.8 80.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -69.85 -27.96 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -82.12 -26.82 33.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.9 mtt -47.74 174.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -107.73 -175.95 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -64.64 -40.06 94.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.73 33.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.32 43.31 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ASP . 11.6 m-85 -116.1 139.26 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 53.5 mt -109.97 137.36 20.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.674 0.749 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.499 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.1 Cg_endo -69.73 136.53 33.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 104' ' ' LEU . 63.4 mt -63.16 -31.95 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.1 p-90 -60.8 -40.46 92.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 7.9 m -62.6 -43.81 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.95 -36.85 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.81 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -84.88 -13.24 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.6 mtt -57.3 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.12 77.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 56' ' ' GLN . 16.2 pt-20 -63.86 -44.76 92.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.1 mm -67.69 -32.98 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -73.71 -41.13 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -71.36 -25.31 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 81.0 mt -94.48 -28.38 15.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -156.75 133.73 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 p -117.03 34.91 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -136.28 134.91 20.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.807 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -43.2 2.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.554 2.169 . . . . 0.0 112.385 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.62 -41.06 98.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.21 -46.76 85.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.15 -51.05 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 84' ' ' ILE . 69.7 mt -58.9 -39.71 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.87 -44.7 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.7 -53.24 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 26.7 mt -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.62 -29.99 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.9 t -75.85 -22.89 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.9 t -91.91 137.5 25.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.714 0.769 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.74 -46.92 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.6 mtp -39.91 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 111' ' ' PRO . 29.5 m -137.68 166.72 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -140.76 132.81 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.0 120.61 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.5 t70 -39.88 134.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 30.2 mm-40 -37.93 -47.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.01 -50.06 74.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.67 47.82 1.74 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.85 -35.05 5.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.46 153.59 48.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.94 144.68 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 81' ' ' PHE . 13.3 ptt85 -145.56 149.35 40.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.693 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 152.01 69.56 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.872 0.367 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.9 -33.86 74.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.86 -45.74 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -63.62 -44.94 92.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.09 -44.98 94.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.88 -42.28 93.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 57' ' ' LEU . 10.3 tp -59.92 -42.99 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -62.56 -38.99 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -66.9 -38.37 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -70.12 -42.96 71.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 53' ' ' LEU . 79.8 mt -64.99 -43.56 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.77 -45.6 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 4.6 t80 -70.39 -37.06 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.46 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 17.0 m -68.03 -31.04 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.537 ' CD2' HG12 ' A' ' 113' ' ' VAL . 6.5 m-85 -94.99 3.83 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 153.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.74 -43.65 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 4.3 t30 -63.65 -42.98 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.35 -44.94 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -65.86 -34.6 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -33.97 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.09 77.99 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -53.25 -32.0 46.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -66.43 -46.84 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.71 -41.65 91.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -65.05 -38.59 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -68.69 -28.42 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.01 -24.88 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 mtt -48.37 177.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -112.6 -176.43 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.9 m -64.55 -42.94 95.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -88.98 31.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 56.17 48.22 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 23.9 m-85 -118.41 137.36 53.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 17.2 mt -106.59 136.57 19.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.631 0.729 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.7 Cg_endo -69.76 135.91 31.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 0.0 112.421 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.27 -33.58 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.4 p-90 -58.97 -36.98 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.458 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.6 m -63.9 -42.72 97.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.05 -34.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.61 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 1.4 p30 -81.82 -26.37 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 10.2 mtt -40.08 132.58 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.22 -50.3 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.45 -37.53 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 44.0 mm -72.54 -33.16 44.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CD ' ' O ' ' A' ' 89' ' ' ASN . 37.0 mtpt -73.29 -41.74 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -71.78 -29.61 64.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -89.08 -34.25 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.4 m -145.02 132.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.1 p -120.09 39.81 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.44 138.26 12.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.521 0.677 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -44.69 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.593 2.196 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.18 -39.13 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.91 -47.15 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.79 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.03 -35.95 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.93 -44.32 89.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG23 ' CD2' ' A' ' 53' ' ' LEU . 71.9 t -61.45 -48.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 22.0 mt -65.94 -44.01 86.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.462 ' CA ' HG23 ' A' ' 115' ' ' VAL . 24.0 ttp180 -72.01 -23.95 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 t -81.9 -23.59 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -94.16 132.27 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -40.88 4.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.8 mtp -42.02 -27.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.537 HG12 ' CD2' ' A' ' 61' ' ' PHE . 19.3 m -133.29 165.33 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -134.7 131.62 37.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.462 HG23 ' CA ' ' A' ' 108' ' ' ARG . 91.2 t -94.93 123.35 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 17.6 t70 -38.42 140.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.13 -69.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -51.18 -44.32 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 105.74 40.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -112.85 -27.49 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 28.3 mtmt -138.16 154.57 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 123' ' ' ARG . 73.5 t -135.51 140.48 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 17.0 ptt180 -135.07 143.82 47.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.05 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.4 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 10.2 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.5 m-20 -71.89 -34.94 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.05 -41.31 61.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.95 -40.66 95.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 26.3 pt-20 -68.99 -44.81 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 53' ' ' LEU . 9.5 p -62.24 -46.8 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 11.1 tp -65.56 -40.73 93.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' CD ' ' A' ' 58' ' ' GLU . 13.6 ttmm -62.89 -38.92 92.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -67.11 -39.03 86.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.5 mm-40 -67.38 -46.86 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 53' ' ' LEU . 79.7 mt -65.07 -45.86 83.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CD ' ' HG2' ' A' ' 54' ' ' LYS . 83.3 mt-10 -66.9 -45.84 76.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -67.24 -39.86 86.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 m -62.77 -38.23 89.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CD2' HG12 ' A' ' 113' ' ' VAL . 11.7 m-85 -85.97 5.03 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -68.15 156.24 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -59.81 -43.53 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -67.75 -42.92 81.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -39.1 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.62 -43.96 97.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.5 t -82.74 -23.12 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -18.07 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -103.44 83.88 2.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -55.5 -34.81 64.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -62.86 -46.92 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.54 -41.69 95.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.98 -37.21 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.5 t -69.72 -30.87 68.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -83.09 -23.29 33.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.441 ' CG ' HG12 ' A' ' 82' ' ' ILE . 36.0 mtp -69.44 150.6 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.52 175.3 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -58.44 -28.02 64.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -82.39 8.61 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 58.1 33.42 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.8 m-85 -110.39 141.18 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 40.4 mt -113.3 136.78 21.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.5 Cg_endo -69.83 134.72 28.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 104' ' ' LEU . 73.4 mt -59.45 -31.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.37 -43.34 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.529 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 9.0 m -63.46 -42.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.55 -45.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -16.99 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -15.49 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.6 mtt -54.27 135.94 43.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.15 -46.64 82.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.02 -44.59 88.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.93 -31.45 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.87 -41.88 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.87 -26.48 61.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 28.4 mt -88.4 -36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.6 m -149.62 134.6 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -116.0 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -140.1 127.9 12.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.502 0.668 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -39.93 5.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -62.0 -44.06 97.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -46.46 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.74 -44.62 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 84' ' ' ILE . 25.8 mt -62.83 -37.31 86.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 109' ' ' SER . 34.8 tt0 -64.18 -41.81 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.402 HG13 ' CD1' ' A' ' 57' ' ' LEU . 87.7 t -63.55 -44.91 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.95 -48.91 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -31.73 70.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 30.9 m -71.93 -23.87 61.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -98.86 138.92 20.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.5 Cg_endo -69.74 -50.85 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' PRO . 34.0 mtp -34.9 -32.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 61' ' ' PHE . 30.9 m -128.1 154.24 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -131.17 132.99 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.42 125.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.7 t0 -39.95 128.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' ASP . 11.4 pt-20 -34.48 -48.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -64.37 -48.28 76.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 105.88 56.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -127.48 -32.66 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -138.71 150.75 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 123' ' ' ARG . 1.6 p -126.98 138.42 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 22.4 ptt85 -132.81 145.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.79 10.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.64 -41.24 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.82 -43.49 83.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -63.66 -45.0 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.75 -43.69 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.84 -42.71 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.08 -42.67 95.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -62.96 -39.14 93.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -67.03 -35.22 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.2 mm-40 -67.21 -47.24 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.99 -44.2 90.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.61 -45.19 79.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 m -67.23 -32.16 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CE2' HD13 ' A' ' 82' ' ' ILE . 5.1 m-85 -91.36 3.34 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -61.81 156.66 19.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -61.75 -45.68 92.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.2 -41.08 74.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -38.26 84.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.92 -43.08 84.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 t -72.16 -25.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -90.1 -26.06 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -86.62 76.53 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.26 -31.15 52.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.85 -46.5 74.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.0 mt -63.05 -41.98 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -65.33 -29.77 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -82.37 -24.23 34.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.416 ' CG ' HG12 ' A' ' 82' ' ' ILE . 23.4 mtp -70.15 151.01 45.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -90.08 -176.08 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -63.94 -36.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -78.46 8.13 5.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 63.39 45.41 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 14.1 m-85 -116.13 136.94 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 23.7 mt -104.88 136.88 19.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.84 134.29 27.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.302 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.45 ' CD1' HD23 ' A' ' 104' ' ' LEU . 96.5 mt -60.75 -30.08 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.7 p-90 -62.08 -45.07 95.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 37.9 m -63.21 -43.98 96.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.23 -44.97 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.67 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.44 -11.45 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.9 mtp -54.71 140.05 37.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.42 -49.76 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.68 -45.93 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.2 mm -62.73 -39.19 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.49 -43.91 79.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.59 -31.92 72.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 71.2 mt -85.57 -36.97 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.451 HG22 ' CD2' ' A' ' 102' ' ' LEU . 62.8 m -164.02 145.7 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.2 p -118.51 15.53 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.454 ' OD1' ' CG ' ' A' ' 101' ' ' ASP . 13.5 t0 -96.67 124.11 51.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -45.12 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 102' ' ' LEU . 2.7 p30 -62.02 -39.55 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.499 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 28.1 tp -64.81 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.58 -47.99 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 84' ' ' ILE . 25.5 mt -59.89 -36.92 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.07 -38.68 88.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.22 -45.5 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 35.4 mt -65.98 -49.17 68.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -65.62 -28.17 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -75.83 -24.11 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' VAL . 7.8 t -97.6 139.11 21.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.79 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.5 mtp -41.46 -25.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 10.8 m -131.95 151.16 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.71 129.9 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.05 128.28 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -43.57 139.43 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -39.05 -48.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -68.55 -45.28 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 44.68 1.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -109.79 -24.74 10.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -144.17 152.89 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.0 p -130.44 138.67 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.499 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 7.1 ptm180 -140.5 146.61 45.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.41 14.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.802 -179.772 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.907 0.384 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -65.9 -45.79 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.98 -45.81 87.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.48 -44.73 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.82 -44.35 94.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.99 -41.93 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -61.07 -41.35 96.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -67.11 -35.2 79.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.8 mm-40 -66.51 -47.35 73.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD11 ' CG1' ' A' ' 106' ' ' VAL . 40.9 mt -64.88 -46.09 83.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.03 -45.92 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 62.7 t80 -66.47 -41.96 88.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.6 m -65.42 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' A' ' 113' ' ' VAL . 8.0 m-85 -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -61.54 155.52 21.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -60.0 -45.14 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.58 -43.05 73.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -62.73 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 72' ' ' LEU . 54.4 mt -63.5 -42.49 98.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.4 t -69.35 -33.09 72.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -80.56 -29.5 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -86.82 82.65 7.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.02 -34.22 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -64.36 -46.1 84.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' CD2' HD23 ' A' ' 66' ' ' LEU . 13.5 tp -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.44 -40.83 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -69.79 -28.21 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -82.44 -23.95 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.5 mtt -51.2 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -129.48 -177.94 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -55.66 -49.99 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -84.41 23.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 61.27 42.25 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.0 m-85 -101.12 137.71 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 11.1 mt -110.9 136.27 20.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.3 Cg_endo -69.73 133.93 26.8 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 104' ' ' LEU . 70.1 mt -65.22 -31.23 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.6 p-90 -62.23 -36.78 83.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.464 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -63.2 -45.0 93.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.08 -34.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.9 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 0.8 OUTLIER -86.59 -24.8 25.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.465 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.6 mtt -34.95 136.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.18 -52.13 66.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.58 -45.99 87.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 37.7 mm -57.43 -39.95 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -68.21 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.51 -33.05 70.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.6 mt -86.91 -36.71 18.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.454 HG23 ' CD2' ' A' ' 102' ' ' LEU . 87.5 m -165.73 144.5 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 p -115.54 19.11 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.63 124.06 38.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.536 0.684 . . . . 0.0 110.912 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -38.05 8.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.13 -43.51 95.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HG23 ' A' ' 97' ' ' THR . 37.6 tp -63.75 -43.83 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.88 -48.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.439 ' CD2' HD13 ' A' ' 84' ' ' ILE . 26.2 mt -60.63 -37.57 81.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.17 -39.68 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 53' ' ' LEU . 77.9 t -65.9 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 33.1 mt -65.19 -46.66 79.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -70.51 -25.49 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.1 m -72.02 -28.03 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 141.79 23.25 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.66 -47.72 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . 9.3 mtp -35.64 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' A' ' 61' ' ' PHE . 11.6 m -128.76 147.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -131.69 129.7 41.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.33 132.77 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.45 144.07 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.93 -49.47 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -59.21 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.71 45.21 1.98 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -120.51 -22.23 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -144.1 144.07 31.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 123' ' ' ARG . 7.6 p -130.69 140.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 2.2 ptp85 -127.34 144.9 52.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 106.09 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.836 0.35 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.08 -35.44 76.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.46 -39.05 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -65.01 -45.1 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 13.3 pt-20 -65.16 -40.65 94.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 5.8 m -61.69 -47.33 85.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.06 -41.02 91.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -59.19 -44.64 92.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -67.03 -35.56 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.46 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.1 mm100 -66.05 -48.69 70.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 107' ' ' LEU . 72.9 mt -64.99 -45.03 87.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.66 -43.5 84.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 45.3 t80 -67.35 -46.74 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.9 m -61.32 -31.65 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 82' ' ' ILE . 14.0 m-85 -93.57 1.06 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -62.77 155.68 25.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -60.62 -44.76 95.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.2 -43.11 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -66.33 -37.64 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.825 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 40.0 mt -64.47 -45.17 88.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 t -67.88 -30.74 70.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -80.39 -35.83 34.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.8 t0 -81.39 81.6 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.12 -36.31 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.07 -46.99 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' CG ' ' A' ' 69' ' ' ASP . 14.4 tp -58.49 -42.55 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 79.0 mt -67.18 -35.28 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -69.32 -29.07 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -83.73 -26.97 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.4 mtt -43.56 164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -101.93 -176.52 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -65.27 -38.26 89.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.13 24.31 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 61.2 43.61 10.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.3 m-85 -112.68 143.18 44.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.566 HD13 ' CE2' ' A' ' 61' ' ' PHE . 14.5 mt -114.54 136.22 22.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.547 0.689 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.79 132.0 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.68 -32.94 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.527 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -59.58 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.498 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -60.8 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.4 t -77.3 -34.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.76 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.016 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -78.79 -26.23 44.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.424 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.6 mtt -42.36 131.07 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.1 -45.8 86.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -62.09 -41.8 98.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.424 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 47.3 mm -67.1 -33.92 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -72.79 -46.82 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.46 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 52.9 mt -84.03 -34.33 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.467 HG23 ' CD2' ' A' ' 102' ' ' LEU . 32.4 m -162.82 143.04 9.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.4 p -120.27 20.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.4 126.53 27.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.36 11.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.61 -44.12 91.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 97' ' ' THR . 30.0 tp -64.22 -44.48 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.26 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.1 mt -59.86 -39.26 84.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.0 tp10 -62.17 -44.0 97.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.86 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 29.2 mt -62.56 -48.4 79.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -68.57 -25.52 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 38.7 t -81.48 -18.72 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t -97.76 139.69 21.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.2 Cg_endo -69.84 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . 52.0 mtp -34.23 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 61' ' ' PHE . 33.3 m -130.36 167.47 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -145.16 129.77 18.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.0 t -94.93 129.01 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' GLU . 35.6 t0 -49.54 139.08 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' ASP . 34.9 tt0 -35.09 -51.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -62.72 -47.89 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.45 59.26 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.547 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -124.89 -36.4 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -137.22 149.43 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.457 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 5.6 p -127.42 144.22 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.532 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.5 ptt180 -134.42 146.49 59.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.96 4.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' MET . 91.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.78 -42.43 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.799 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.45 -45.97 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -63.09 -41.63 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.57 -40.01 95.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.74 -38.35 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.59 -48.26 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 56' ' ' GLN . 8.8 pttp -67.61 -34.52 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.1 mm-40 -66.72 -46.31 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 87' ' ' VAL . 79.6 mt -65.03 -45.5 85.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -65.92 -41.66 91.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -68.22 -37.55 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 14.3 t -64.77 -40.65 95.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 7.6 m-85 -83.64 2.69 36.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.8 t -62.84 149.59 43.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -56.52 -44.24 80.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.7 -42.28 77.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 4.1 t30 -62.89 -44.22 96.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 91.8 mt -61.29 -45.54 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -66.86 -32.17 73.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -85.11 -17.97 35.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -101.51 75.53 1.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.38 -28.93 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -68.66 -47.0 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 71.9 mt -66.68 -38.61 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -69.6 -28.52 66.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -82.49 -26.32 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.6 mtt -45.59 170.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . 21.0 t70 -106.79 166.57 10.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -51.96 -27.41 13.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.5 31.11 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 54.01 30.95 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 9.6 m-85 -102.06 137.36 40.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.48 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 28.7 mt -110.14 136.89 20.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.521 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.4 Cg_endo -69.72 133.65 26.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 120' ' ' GLU . 45.2 mt -64.98 -27.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 3.1 p-90 -64.76 -32.0 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -68.91 -41.69 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 57' ' ' LEU . 47.2 t -76.96 -36.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.05 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -79.82 -19.22 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.412 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.8 mtt -47.65 143.0 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -64.04 -51.95 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 25.0 pm0 -62.22 -30.6 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.47 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 19.9 mm -73.86 -37.56 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -67.68 -39.41 84.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.9 -32.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 92.8 mt -85.04 -28.18 25.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.3 m -154.84 135.34 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -126.95 40.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.6 137.45 12.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -45.19 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.35 -39.61 93.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.95 -47.23 84.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.35 -48.02 89.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.25 -38.05 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.82 -43.58 88.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.72 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -63.62 -47.91 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -67.86 -29.44 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -74.57 -28.13 60.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -94.14 133.31 27.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -44.27 2.23 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -45.03 -22.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.9 m -133.75 142.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -129.67 126.95 39.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.1 132.61 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 119' ' ' GLY . 28.1 t70 -53.18 136.14 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' ASP . 35.2 tt0 -34.19 -46.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -59.99 -46.35 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 94.94 45.93 2.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.41 ' C ' HD12 ' A' ' 84' ' ' ILE . 1.2 mp0 -120.82 -30.22 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.972 0.415 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -137.33 154.98 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 123' ' ' ARG . 2.5 p -135.84 145.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.2 ptp180 -131.09 151.16 78.44 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 116.2 4.46 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.84 -42.85 73.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.71 -44.76 95.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -62.35 -45.0 95.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.71 -41.57 98.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -60.92 -47.32 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.04 -39.3 85.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.14 -42.84 99.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -67.02 -35.04 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.8 mm-40 -65.59 -47.86 74.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 87' ' ' VAL . 82.2 mt -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -66.96 -43.05 84.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -69.89 -43.77 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.3 t -65.56 -30.23 70.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.3 m-85 -89.99 2.1 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -64.91 155.17 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -71.01 -41.12 71.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -67.53 -38.46 84.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -44.6 84.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -66.46 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -83.33 -22.08 32.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.5 t0 -91.77 76.06 5.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -54.85 -36.38 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -62.41 -46.43 88.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 69' ' ' ASP . 15.6 tp -60.73 -38.61 85.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.94 -38.57 81.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -70.07 -28.96 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -83.01 -24.28 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 mtt -50.93 172.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -111.23 179.52 4.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 p -58.87 -41.02 86.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.96 37.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 50.46 35.42 11.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 7.1 m-85 -99.3 139.97 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 10.9 mt -111.92 136.24 21.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.8 Cg_endo -69.71 128.94 16.8 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.405 HD11 ' C ' ' A' ' 120' ' ' GLU . 55.1 mt -58.98 -32.12 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.6 p-90 -59.03 -43.4 91.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.481 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 19.0 m -62.13 -37.09 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.461 HG12 ' CD2' ' A' ' 57' ' ' LEU . 92.7 t -73.3 -45.07 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -15.7 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.86 -15.23 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.79 134.89 51.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.87 -52.03 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.06 -39.45 89.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.4 mm -69.78 -34.4 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -73.63 -41.34 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -71.74 -26.19 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.6 mt -95.29 -30.03 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -150.38 119.85 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.6 p -110.88 36.33 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.36 134.42 18.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.96 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.02 -38.62 91.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.85 -47.37 83.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.3 -43.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.7 -38.92 86.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.88 -44.94 91.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.88 -45.61 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.429 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 35.2 mt -63.14 -48.95 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -69.43 -20.58 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -86.36 -23.89 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.455 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.2 m -79.5 126.61 80.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.69 36.2 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.0 mtp -87.65 -18.31 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 61' ' ' PHE . 32.8 m -130.12 152.1 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.62 129.09 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.6 t -98.5 123.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -40.57 140.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -42.7 -52.86 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HE2' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -60.38 -42.84 96.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.12 57.93 1.05 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.405 ' C ' HD11 ' A' ' 84' ' ' ILE . 14.5 mt-10 -126.74 -30.01 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -142.73 154.65 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.17 144.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.1 ptp180 -134.06 144.68 52.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.34 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -69.43 -29.89 67.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -72.32 -43.41 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.82 -45.06 91.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.71 -48.02 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' CD2' HG21 ' A' ' 106' ' ' VAL . 12.9 tp -59.92 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -62.06 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.0 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 35.2 mm-40 -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 87' ' ' VAL . 38.0 mt -64.36 -43.06 95.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -66.47 -45.97 77.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 6.1 t80 -67.4 -41.23 85.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 113' ' ' VAL . 10.7 m-85 -94.34 5.92 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.9 m -66.55 160.48 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -68.61 -42.51 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -68.28 -35.1 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 34.7 mt -66.44 -45.06 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -69.55 -30.71 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -81.8 -33.64 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.36 85.28 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.79 -35.56 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -63.97 -47.01 82.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 66' ' ' LEU . 13.6 tp -59.43 -45.68 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 62.2 mt -65.14 -33.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -30.95 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -81.99 -26.63 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.8 mtt -43.41 166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -113.28 170.32 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -49.9 -25.25 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -109.26 51.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' O ' ' CG ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 33.07 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 79' ' ' ASP . 8.1 m-85 -102.88 138.94 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 24.4 mt -117.46 136.79 23.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.563 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.9 Cg_endo -69.74 125.97 12.78 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.463 HD12 ' CD2' ' A' ' 104' ' ' LEU . 55.7 mt -58.25 -32.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.01 -36.98 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -63.32 -39.27 94.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 57' ' ' LEU . 61.3 t -75.98 -36.9 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.96 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -86.06 -14.18 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtt -53.05 136.65 34.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.06 -44.17 94.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.5 -40.75 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.45 -29.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -73.22 -40.77 64.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -73.36 -29.93 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 70.7 mt -87.97 -32.16 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.3 m -147.19 137.4 23.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.2 p -124.32 31.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -134.59 135.84 24.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.07 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.14 -48.05 80.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.22 -50.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.463 ' CD2' HD12 ' A' ' 84' ' ' ILE . 27.6 mt -57.17 -36.11 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.01 -45.04 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.42 HG21 ' CD2' ' A' ' 53' ' ' LEU . 93.4 t -62.73 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 22.5 mt -62.34 -49.11 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -71.93 -17.32 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 m -84.41 -27.1 27.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -96.18 137.79 21.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.65 -49.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 125' ' ' SER . 38.0 mtp -34.21 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 61' ' ' PHE . 31.1 m -128.63 163.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -142.55 136.65 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.42 121.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -39.28 159.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -59.23 -36.67 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -77.25 -35.52 55.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.86 51.86 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -123.99 -35.76 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -135.98 143.81 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.86 148.91 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -131.84 143.67 50.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.05 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' MET . 20.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.6 -45.71 74.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.34 -45.39 91.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.42 -45.01 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.29 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -59.53 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 97' ' ' THR . 9.7 tp -59.97 -40.59 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -62.14 -42.01 98.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -67.05 -35.11 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 50.4 mm-40 -66.28 -49.59 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.02 -44.94 87.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.97 -45.96 79.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 33.9 t80 -68.58 -39.19 81.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.77 -34.6 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -88.45 1.28 55.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 t -61.6 157.87 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.38 -45.3 94.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 8.6 pt-20 -70.35 -43.0 71.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -65.35 -37.73 87.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 ' CD2' HD23 ' A' ' 72' ' ' LEU . 20.3 mt -66.09 -45.6 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -70.32 -25.15 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -86.28 -33.36 20.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.7 t0 -83.14 78.02 9.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.04 -33.49 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.67 -46.77 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 66' ' ' LEU . 13.5 tp -60.02 -42.03 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.88 -41.41 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -69.63 -26.9 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -83.1 -26.42 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.413 ' CG ' HG12 ' A' ' 82' ' ' ILE . 11.1 mtt -47.33 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 7.6 t0 -107.56 -175.05 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -61.24 -44.46 97.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.15 26.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.61 32.35 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' ASP . 13.7 m-85 -101.29 138.05 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 16.2 mt -111.97 136.54 21.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.513 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 137.02 34.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 104' ' ' LEU . 34.1 mt -65.43 -27.98 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.513 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -64.44 -40.69 96.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 4.7 m -60.91 -45.03 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.33 -34.63 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.54 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -79.0 -21.14 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.42 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.8 mtt -45.48 131.82 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.66 -46.38 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.08 -38.81 92.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 38.5 mm -71.49 -36.78 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -70.65 -40.3 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -73.86 -30.24 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.2 mt -87.71 -29.56 21.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.47 ' CB ' HD23 ' A' ' 53' ' ' LEU . 31.7 m -162.09 113.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.93 33.11 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -126.04 130.19 24.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -45.03 1.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.05 -41.58 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.96 -42.65 97.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.9 -44.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 84' ' ' ILE . 41.9 mt -60.16 -40.6 90.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.07 -43.62 91.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.1 -44.62 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 25.7 mt -65.67 -49.05 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -71.85 -16.92 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -86.87 -24.49 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -88.01 131.22 43.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -18.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.0 mtp -78.61 -12.38 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 27.7 m -140.86 152.27 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -136.88 123.19 20.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.6 t -95.67 127.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.63 138.37 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.42 -50.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.81 -43.96 81.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.88 55.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.41 ' C ' HD12 ' A' ' 84' ' ' ILE . 17.0 mm-40 -130.11 -32.46 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -136.91 146.37 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 p -128.92 146.35 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.448 ' HD2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 ptm180 -134.01 147.57 64.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.26 3.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.75 -47.94 67.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.41 -45.76 90.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -37.48 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.4 m -61.41 -49.74 75.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.89 -40.97 90.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -62.82 -41.51 99.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.17 -34.94 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.21 -48.37 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -63.06 -45.47 92.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.59 -45.98 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 16.1 t80 -64.48 -45.84 85.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.7 t -62.94 -30.87 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD2' HG13 ' A' ' 113' ' ' VAL . 7.3 m-85 -91.81 -0.41 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -62.18 156.3 22.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.32 -45.79 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.36 -43.08 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -64.12 -40.92 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 27.2 mt -63.33 -45.74 89.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.7 t -77.25 -15.46 59.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -91.69 -30.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -91.36 91.58 8.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.46 -43.17 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.0 -46.99 86.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' CD2' HD22 ' A' ' 66' ' ' LEU . 14.8 tp -58.75 -44.58 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -62.02 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -69.56 -26.42 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -84.51 -23.6 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtt -48.02 173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t0 -108.24 -174.97 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -65.28 -37.31 86.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 5.2 t0 -99.04 27.91 4.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 63.37 52.96 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' ASP . 22.1 m-85 -119.51 140.8 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 50.7 mt -112.1 136.95 21.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.707 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.4 Cg_endo -69.65 138.94 39.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 104' ' ' LEU . 46.8 mt -66.04 -30.45 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 4.9 p-90 -62.57 -39.97 95.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 5.8 m -63.1 -42.1 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.14 -35.49 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.08 -20.3 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' TRP . 2.4 m-80 -89.01 -14.11 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.415 ' CB ' HG12 ' A' ' 93' ' ' ILE . 7.6 mtt -56.39 131.34 48.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -54.98 -50.77 68.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -39.34 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.415 HG12 ' CB ' ' A' ' 90' ' ' MET . 29.0 mm -72.31 -33.29 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -73.44 -39.74 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.54 -29.1 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.52 -31.54 19.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.439 ' CG2' HD21 ' A' ' 102' ' ' LEU . 6.2 m -156.26 127.74 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.4 40.91 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -138.71 134.08 17.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.88 5.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.18 -42.28 89.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 HD21 ' CG2' ' A' ' 97' ' ' THR . 36.3 tp -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.38 -46.99 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 84' ' ' ILE . 49.1 mt -57.87 -39.97 79.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 109' ' ' SER . 43.3 tt0 -66.11 -40.37 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.23 -43.57 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.07 -49.15 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 13.6 ttm105 -72.19 -17.23 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 17.6 t -86.01 -25.41 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 m -78.06 128.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 125' ' ' SER . 36.3 mtp -93.6 -27.3 16.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 61' ' ' PHE . 15.2 m -131.01 147.84 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 113' ' ' VAL . 4.0 mp0 -133.34 141.79 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.8 t -99.41 131.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 117' ' ' GLU . 10.6 t70 -44.15 138.82 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ASP . 19.4 tp10 -37.82 -52.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.08 85.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.48 60.45 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -129.46 -33.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -141.12 153.07 45.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.02 134.92 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 13.2 ptt180 -119.82 144.0 36.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.48 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.96 -35.78 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.23 -46.95 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.16 -38.92 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -61.9 -47.64 84.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 tp -59.92 -41.18 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 27.4 ttpt -61.97 -40.59 96.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -67.07 -40.04 86.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -62.81 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.88 -44.07 90.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.06 -45.98 79.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.07 -42.8 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.79 -31.35 72.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.401 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 6.8 m-85 -89.95 -0.02 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -58.6 158.72 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -61.57 -45.89 92.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.28 -42.37 72.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -38.32 88.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.3 mt -65.67 -45.12 84.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -75.13 -17.65 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -94.11 -29.24 15.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -86.54 81.48 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.89 -40.36 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -59.53 -46.88 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.45 -41.31 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.43 -35.77 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.93 -27.53 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -85.77 -26.31 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 mtt -44.7 165.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' PHE . 23.1 t70 -102.58 176.69 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -56.26 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -92.57 28.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 58.84 32.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.8 m-85 -102.99 138.0 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 41.3 mt -103.43 137.12 19.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.5 Cg_endo -69.65 138.5 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.04 -31.39 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.469 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -59.32 -39.74 84.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 45.1 m -65.78 -43.97 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.19 -45.12 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.15 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -22.51 27.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.0 mtp -48.32 140.59 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.83 -50.17 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -64.07 -39.87 95.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 30.9 mm -68.99 -32.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -72.21 -45.77 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -68.73 -28.53 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.5 -33.73 20.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.47 HG23 ' CD2' ' A' ' 102' ' ' LEU . 96.7 m -151.26 141.54 22.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -125.69 27.71 6.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -132.17 136.79 28.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -43.38 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.255 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.96 -41.43 97.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 97' ' ' THR . 25.5 tp -63.02 -45.01 94.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.28 -44.59 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.8 mt -62.13 -36.57 82.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -64.97 -44.39 89.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 54' ' ' LYS . 99.3 t -60.98 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 26.1 mt -63.24 -48.11 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -63.42 -33.1 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -75.79 -11.07 59.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -99.9 119.18 60.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.52 16.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 mtp -90.46 8.26 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 20.9 m -151.05 160.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -125.07 131.8 53.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.2 127.72 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' GLY . 27.6 t70 -53.13 134.7 38.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' ASP . 73.9 mm-40 -35.66 -41.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -78.53 -41.14 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 98.92 49.92 1.55 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -110.17 -32.91 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -139.89 148.78 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.05 135.87 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.532 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.4 ptt180 -129.21 151.31 77.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.99 9.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.914 0.388 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 3.6 t0 -68.31 -36.8 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.6 mt -70.66 -47.03 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -64.95 -45.05 87.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.22 -38.36 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -65.63 -50.48 64.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.95 -37.59 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.77 -44.11 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 58.2 mm-40 -64.78 -49.93 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.43 -44.97 95.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -61.57 -46.02 91.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -69.38 -35.44 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CE ' ' A' ' 90' ' ' MET . 3.2 t -67.4 -38.34 84.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CD2' HG12 ' A' ' 113' ' ' VAL . 17.3 m-85 -85.08 -0.45 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 p -59.17 154.15 16.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 63' ' ' ARG . 26.1 mtm105 -61.54 -42.5 98.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.99 -42.72 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.45 -38.67 84.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 72' ' ' LEU . 54.2 mt -64.04 -43.96 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.2 t -72.91 -29.13 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -83.94 -28.17 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -86.37 77.36 9.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.0 mt -53.82 -31.04 47.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -66.19 -46.87 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 66' ' ' LEU . 13.9 tp -61.86 -40.4 95.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.19 -36.79 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -68.83 -32.68 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.28 -22.97 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.8 mtt -52.0 169.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.68 -179.09 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.9 t -57.01 -45.1 83.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.432 ' HB2' ' CD2' ' A' ' 81' ' ' PHE . 1.2 m-20 -84.59 20.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 62.96 27.77 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 4.9 m-85 -89.61 137.05 32.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 51.9 mt -110.53 137.84 20.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 111.201 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.548 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.42 HD13 ' CD2' ' A' ' 104' ' ' LEU . 41.5 mt -59.7 -32.31 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.548 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 4.3 m -64.16 -43.81 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.19 -45.09 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.59 -18.2 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.0 -9.55 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.424 ' CB ' HG12 ' A' ' 93' ' ' ILE . 5.4 mtt -56.71 139.62 49.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.04 -50.99 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -63.34 -37.08 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.424 HG12 ' CB ' ' A' ' 90' ' ' MET . 17.1 mm -71.06 -36.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -69.6 -43.44 72.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -31.82 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 83.5 mt -79.4 -37.17 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.45 ' CG2' HD22 ' A' ' 102' ' ' LEU . 35.9 m -165.85 144.19 5.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.422 ' N ' HG23 ' A' ' 97' ' ' THR . 82.7 p -117.26 22.48 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.4 121.99 48.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.84 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -64.15 -41.87 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.45 HD22 ' CG2' ' A' ' 97' ' ' THR . 28.8 tp -63.05 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.98 -48.46 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 84' ' ' ILE . 24.4 mt -61.7 -38.23 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.37 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.8 -44.07 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.02 -49.07 73.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -68.89 -16.94 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -87.18 -20.13 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 m -96.47 132.96 25.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -32.04 19.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.76 2.307 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.4 mtp -60.25 -23.34 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.558 HG12 ' CD2' ' A' ' 61' ' ' PHE . 20.5 m -129.65 149.58 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.58 129.09 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.44 128.22 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -48.26 146.82 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -44.36 -50.73 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -59.41 -43.23 93.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.35 51.46 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -123.23 -21.97 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -148.13 155.77 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.6 p -134.95 144.7 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.567 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.6 ptp180 -131.41 147.53 66.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.91 109.76 2.42 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.818 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.4 -34.32 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -73.54 -43.74 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -45.11 91.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.56 -42.33 95.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -58.91 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 106' ' ' VAL . 12.6 tp -60.02 -40.78 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 110' ' ' SER . 48.4 tttp -62.64 -41.12 98.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.12 -37.85 84.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 13.9 mm100 -62.13 -50.08 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.13 -45.61 92.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -70.97 -38.55 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.98 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.1 m-85 -77.55 5.39 9.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -63.67 153.66 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.8 -44.11 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.11 -40.12 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -66.92 -42.03 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 54.5 mt -64.3 -41.06 97.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -73.34 -36.75 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -78.07 -24.02 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.97 81.58 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.7 mt -57.82 -37.56 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.19 -46.87 88.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.58 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 59.2 mt -62.69 -36.79 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -69.53 -27.38 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -82.38 -26.94 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 mtt -57.65 162.86 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -102.44 174.61 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.3 p -50.88 -32.43 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.56 23.67 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 52.03 46.59 26.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 13.4 m-85 -115.07 137.07 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.443 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 6.8 mt -102.73 135.29 19.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.71 137.25 35.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.57 -30.45 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.478 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.94 -41.49 96.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.448 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 97.8 m -68.33 -39.97 81.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.8 t -71.58 -35.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.19 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.53 -10.31 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.4 mtt -58.89 137.2 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -49.77 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.43 -29.85 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -27.6 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 93.0 mt -90.96 -30.44 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.2 m -149.23 131.5 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 p -124.4 28.32 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.9 137.92 29.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.71 3.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -63.03 -42.65 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.99 -42.19 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.11 -45.72 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -43.58 98.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 53' ' ' LEU . 98.3 t -63.09 -49.69 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.71 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -66.74 -26.2 66.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 t -86.33 -25.34 25.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 2.4 t -81.88 116.63 64.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.734 0.778 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -18.85 36.19 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtp -78.5 10.09 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.559 HG12 ' CD2' ' A' ' 61' ' ' PHE . 34.0 m -144.38 159.94 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.63 129.12 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.22 133.63 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.53 144.11 55.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -38.46 -44.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.37 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.98 -26.48 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -140.01 151.28 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 123' ' ' ARG . 6.6 p -135.84 137.75 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.476 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 10.5 ptm180 -127.47 150.14 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 110.77 2.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.757 2.305 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.922 0.391 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.97 -47.45 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.1 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -64.56 -44.86 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -62.61 -44.54 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -58.23 -48.3 80.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 tp -59.97 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -61.65 -46.03 91.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.5 -37.15 86.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 16.2 mm100 -63.52 -49.36 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.02 -44.64 88.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.68 -46.01 87.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -71.46 -35.76 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.461 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 24.1 m -67.89 -31.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 12.0 m-85 -95.4 4.45 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -61.52 153.1 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.83 -44.3 94.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.0 -43.58 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 7.1 t30 -64.26 -38.91 92.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 72' ' ' LEU . 43.2 mt -64.28 -45.14 89.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.6 t -69.02 -25.79 64.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -86.61 -31.96 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -84.91 79.24 9.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -53.72 -37.42 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.84 -47.02 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 66' ' ' LEU . 14.8 tp -60.42 -39.45 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.2 mt -65.17 -40.22 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.05 -28.11 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -82.39 -26.35 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 mtt -46.21 168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.22 -174.75 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 34.2 t -65.24 -49.37 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.4 t0 -85.69 24.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 78' ' ' SER . 13.1 mp0 63.69 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.521 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 24.2 m-85 -122.82 137.62 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.554 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 32.7 mt -110.02 136.71 20.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.81 141.03 43.95 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.635 2.223 . . . . 0.0 112.324 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 104' ' ' LEU . 57.3 mt -64.96 -29.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD2' ' N ' ' A' ' 86' ' ' THR . 2.2 p-90 -60.63 -44.65 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 8.4 m -63.15 -35.09 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.184 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.12 -45.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.71 -20.3 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.0 -13.89 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.2 mtt -53.92 133.93 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -57.81 -50.23 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.51 -30.32 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.48 -44.22 62.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -69.01 -28.23 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 46.4 mt -85.13 -36.24 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.463 HG23 ' CD2' ' A' ' 102' ' ' LEU . 31.0 m -159.59 135.1 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -119.6 32.13 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -119.32 131.36 24.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.526 0.679 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -45.05 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -64.5 -39.37 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 97' ' ' THR . 22.4 tp -66.24 -48.04 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.79 -51.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 84' ' ' ILE . 45.0 mt -56.85 -37.73 71.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.73 -44.42 96.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.69 -44.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.4 -40.96 94.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.45 -32.12 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 p -80.71 -27.95 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -79.77 129.3 71.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.737 0.779 . . . . 0.0 110.815 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.0 Cg_endo -69.75 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.0 mtp -39.93 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' PRO . 5.0 m -130.44 160.68 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -143.37 128.04 18.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 t -97.98 132.99 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 119' ' ' GLY . 7.9 m-20 -55.21 139.36 42.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 116' ' ' ASP . 7.0 mm-40 -35.77 -48.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -59.96 -46.94 87.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 96.66 44.81 2.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -114.15 -28.48 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -144.26 149.96 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.07 134.96 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 9.7 ptt180 -123.57 146.08 48.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 107.77 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.796 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.81 -44.93 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.76 -43.16 97.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -64.29 -44.41 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.4 -40.53 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.0 m -62.65 -47.41 83.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 106' ' ' VAL . 9.7 tp -59.9 -41.49 91.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.37 -40.92 98.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -67.13 -35.85 80.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.6 mm100 -69.17 -46.29 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.72 -45.46 86.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -66.26 -45.89 78.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.544 ' CE2' ' OD1' ' A' ' 65' ' ' ASN . 87.3 t80 -68.68 -37.77 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 m -66.47 -34.86 78.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.433 ' CD2' ' CG1' ' A' ' 113' ' ' VAL . 11.8 m-85 -91.06 5.96 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -65.89 154.52 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -60.23 -46.01 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.45 -43.96 72.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.544 ' OD1' ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.981 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.09 -46.07 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -28.16 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -90.58 -9.38 47.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 20.5 t0 -104.21 74.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.789 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.1 -40.82 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -58.12 -45.73 86.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 69' ' ' ASP . 15.4 tp -58.59 -48.83 79.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.07 -29.81 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -65.19 -41.56 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.505 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -82.01 -26.13 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 75' ' ' GLN . 18.2 mtt -43.6 151.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.79 176.9 6.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 m -62.53 -30.4 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.04 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 62.96 29.74 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 11.9 m-85 -103.17 138.73 39.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 30.6 mt -115.97 136.5 22.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.73 142.87 49.22 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.63 -28.26 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.593 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.5 p-90 -62.71 -45.76 91.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 15.8 m -61.42 -38.53 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.71 -40.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.05 -16.76 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.22 -14.38 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.7 mtt -53.64 135.48 40.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -57.08 -49.25 76.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -44.61 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.81 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.6 mm -68.29 -32.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -75.48 -41.4 55.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -26.86 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 42.5 mt -84.32 -37.02 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 98' ' ' THR . 82.8 m -166.11 144.14 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 97' ' ' THR . 0.6 OUTLIER -119.4 24.65 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.03 120.85 49.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -39.54 6.35 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.91 -42.87 99.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.0 -41.61 99.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.94 -49.66 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.77 -38.32 81.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.53 -43.0 91.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.433 ' CG2' HD21 ' A' ' 53' ' ' LEU . 93.6 t -66.96 -44.72 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 113' ' ' VAL . 28.2 mt -63.08 -49.04 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -18.68 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.4 t -85.07 -26.97 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -90.28 133.2 33.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -31.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.6 mtp -57.93 -26.01 61.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 107' ' ' LEU . 25.4 m -130.14 150.13 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.0 129.75 40.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.72 130.68 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.4 t0 -56.82 142.92 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.5 mm-40 -36.58 -51.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -58.27 -48.99 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.6 44.68 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -116.92 -15.77 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -151.72 149.04 28.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 p -126.42 146.63 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 16.7 ptt180 -135.44 143.93 47.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 112.1 2.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.61 -45.76 67.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.39 -45.25 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -63.54 -44.93 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -42.73 99.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.57 -46.29 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.12 -40.92 91.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -62.82 -40.37 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -67.06 -39.57 86.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mm100 -66.31 -42.86 87.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.04 -45.4 85.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.17 -45.96 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.39 -49.45 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.401 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 14.5 m -59.69 -30.64 68.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 113' ' ' VAL . 13.5 m-85 -93.44 3.89 54.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 t -66.82 156.01 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -45.43 92.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.02 -39.93 83.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.401 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -68.02 -39.63 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.18 -44.73 91.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -69.85 -38.1 76.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -76.39 -30.05 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -86.51 78.61 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -53.32 -36.48 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -62.05 -46.79 87.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.2 -40.25 89.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.04 -42.47 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -66.19 -31.57 72.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -83.89 -24.08 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.404 ' CG ' HG12 ' A' ' 82' ' ' ILE . 30.1 mtp -62.64 170.22 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -105.02 -176.42 3.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.3 m -65.54 -43.74 89.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 23.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.38 47.77 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -109.94 138.95 45.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.557 HD12 ' CE2' ' A' ' 61' ' ' PHE . 62.3 mt -118.6 137.46 24.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.476 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 138.59 38.07 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.66 -29.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.476 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.5 p-90 -63.13 -38.7 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -66.65 -45.02 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.96 -45.15 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.32 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -20.99 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtp -47.38 133.82 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.53 -48.69 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.06 -46.07 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.5 mm -60.39 -40.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -67.31 -38.89 85.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -65.63 -30.94 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 94.9 mt -85.74 -37.04 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 98' ' ' THR . 51.6 m -166.02 143.8 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' HG22 ' A' ' 97' ' ' THR . 69.4 p -114.31 26.53 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -110.02 120.56 44.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -38.01 8.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.56 -42.35 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.41 HD21 ' CG2' ' A' ' 97' ' ' THR . 32.4 tp -63.05 -42.7 99.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.77 -45.88 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 115' ' ' VAL . 35.0 mt -62.79 -36.33 82.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.14 -39.84 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.26 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.447 ' CD2' HG21 ' A' ' 113' ' ' VAL . 32.4 mt -65.52 -47.36 76.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -68.27 -28.59 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.7 t -76.38 -23.49 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 113' ' ' VAL . 2.4 p -93.04 137.2 23.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -31.49 20.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 37.3 mtp -54.34 -34.54 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 61' ' ' PHE . 19.5 m -129.09 163.99 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.425 ' OE1' ' C ' ' A' ' 115' ' ' VAL . 1.3 tm0? -140.93 132.95 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 104' ' ' LEU . 45.3 t -100.62 119.14 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' VAL . 13.5 t70 -37.52 145.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -53.77 -20.0 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -88.53 -35.11 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.74 45.59 5.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -119.03 -30.91 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -145.47 144.85 30.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 123' ' ' ARG . 5.0 p -125.12 137.91 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.439 ' N ' HG23 ' A' ' 122' ' ' VAL . 5.2 ptm180 -125.85 144.65 49.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 123.13 9.78 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' SER . 26.8 p -133.84 128.57 34.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' SER . 29.1 t -36.39 -59.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.58 -123.71 2.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -132.54 -59.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 m -92.19 161.51 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.94 -132.76 6.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.72 174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.19 105.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -130.86 174.03 10.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -58.2 -29.61 65.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.58 -42.0 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.86 -36.56 72.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.02 -44.68 79.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -64.98 -43.21 93.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.19 -44.98 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 tp -60.18 -41.14 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -63.04 -40.31 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -67.01 -36.3 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.1 mm-40 -64.11 -49.78 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' CD2' HG11 ' A' ' 87' ' ' VAL . 98.6 mt -64.86 -44.35 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -64.59 -45.77 85.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 13.5 t80 -67.72 -42.01 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 m -62.71 -31.83 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.519 ' CD2' HG12 ' A' ' 113' ' ' VAL . 12.2 m-85 -93.85 0.49 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -60.24 157.12 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.53 -45.59 93.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.54 -43.75 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.4 t30 -65.41 -39.03 91.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.41 -44.78 93.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -77.41 -16.66 58.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -90.29 -30.11 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -91.69 85.37 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.68 -32.81 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.96 -45.77 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.4 tp -58.11 -44.59 87.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.3 mt -64.77 -38.6 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -68.13 -27.14 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -83.87 -26.5 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.7 mtt -47.88 172.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.9 t0 -105.12 -175.49 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 -38.31 84.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -92.6 33.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 54.02 49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.1 m-85 -121.42 137.31 54.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 47.7 mt -107.45 138.11 19.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.537 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.0 Cg_endo -69.78 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.429 HD11 ' CD2' ' A' ' 104' ' ' LEU . 44.9 mt -60.85 -31.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.537 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.9 p-90 -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.423 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 3.6 m -62.09 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.458 HG11 ' CD2' ' A' ' 57' ' ' LEU . 95.4 t -72.03 -40.34 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -18.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.01 -14.71 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 mtt -53.34 136.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.96 -51.34 70.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.29 -42.18 90.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.26 -31.24 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -73.35 -40.09 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -73.1 -29.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 82.8 mt -83.53 -34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.46 HG23 ' CD2' ' A' ' 102' ' ' LEU . 30.7 m -155.52 138.58 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -118.06 16.42 14.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -115.27 130.69 24.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -40.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 97' ' ' THR . 21.4 tp -64.85 -46.6 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.22 -46.2 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 84' ' ' ILE . 30.3 mt -58.34 -40.69 82.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.9 tt0 -63.82 -41.34 97.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.56 -44.15 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.3 mt -66.01 -48.87 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.49 -24.57 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 16.9 m -76.42 -27.43 56.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -95.66 141.4 23.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PRO . 46.8 mtp -36.25 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.519 HG12 ' CD2' ' A' ' 61' ' ' PHE . 33.5 m -127.96 161.18 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -144.03 125.3 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -100.06 127.73 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.8 t70 -44.99 134.86 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ASP . 36.4 mt-10 -35.69 -44.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -68.82 -46.9 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 102.58 61.58 0.72 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.401 ' C ' HD12 ' A' ' 84' ' ' ILE . 25.2 mt-10 -130.22 -32.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -139.81 146.68 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.8 p -130.26 139.79 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.9 ptt180 -131.2 144.6 54.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 115.26 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.9 p -45.0 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 126' ' ' HIS . 6.5 p-80 -85.37 38.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -151.56 126.39 9.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -76.33 117.84 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.31 -39.21 10.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.5 pt -98.7 158.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -87.4 -50.92 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -175.41 -85.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.4 11.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 m -100.83 121.77 42.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.3 p -163.32 111.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.8 t -161.75 141.21 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 110.841 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -174.8 172.05 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.73 171.43 44.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 p -154.75 139.72 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -136.04 106.55 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . 170.2 -158.72 30.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.6 136.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.29 100.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -110.52 176.92 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -64.88 -37.74 88.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.19 -39.43 90.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.19 -43.06 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.06 -46.05 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.86 -39.12 87.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.1 m -67.73 -50.17 58.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 106' ' ' VAL . 8.3 tp -60.06 -40.28 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -62.6 -41.96 99.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.933 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -67.17 -35.04 78.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.461 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 25.8 mm-40 -65.5 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.08 -45.79 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.34 -45.91 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 64.7 t80 -66.9 -39.48 87.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.424 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.7 m -65.8 -33.35 75.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 5.9 m-85 -89.98 1.22 56.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 t -61.33 154.21 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -61.22 -45.84 92.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -70.43 -41.73 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 t30 -63.84 -42.54 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 HD21 ' CD2' ' A' ' 72' ' ' LEU . 55.7 mt -64.49 -45.47 87.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -62.72 -34.18 76.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -82.54 -27.89 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.67 85.29 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.61 -32.61 71.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.06 -46.54 74.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD2' HD21 ' A' ' 66' ' ' LEU . 12.5 tp -60.28 -41.97 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.86 -35.84 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -69.25 -29.69 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -84.78 -25.6 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.427 ' HE1' ' CD1' ' A' ' 66' ' ' LEU . 26.2 mtt -47.5 171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.17 -175.12 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.9 m -63.78 -39.29 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 30.06 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 56.72 44.19 24.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 123' ' ' ARG . 22.8 m-85 -111.45 138.75 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.56 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 25.6 mt -113.4 136.64 21.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.2 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.5 mt -65.84 -30.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.473 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 6.5 m -64.18 -43.17 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.0 t -72.02 -36.62 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.93 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -83.98 -22.03 31.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.408 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.3 mtt -46.56 134.97 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.59 -51.33 70.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.89 -44.41 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.408 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -62.56 -35.89 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -70.2 -45.9 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.34 -28.02 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.1 mt -91.47 -33.23 15.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.424 ' CB ' HD23 ' A' ' 53' ' ' LEU . 16.1 m -156.02 131.87 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.2 p -123.72 41.21 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -137.63 137.13 21.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.92 -38.18 87.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.46 -47.64 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.56 -48.7 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.3 mt -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.46 -41.25 96.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 53' ' ' LEU . 95.4 t -64.85 -46.6 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.11 -49.02 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.408 ' CG ' ' HB ' ' A' ' 115' ' ' VAL . 58.6 mtt180 -70.14 -22.33 63.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -79.49 -28.06 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -94.09 134.41 25.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.68 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.778 2.319 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.7 mtp -39.43 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' PRO . 11.6 m -128.44 160.28 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -144.07 129.43 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.408 ' HB ' ' CG ' ' A' ' 108' ' ' ARG . 18.3 t -98.41 132.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.73 158.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.79 -28.56 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -77.76 -45.6 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.36 53.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.01 -34.36 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -136.89 150.67 48.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.528 HG13 ' CZ ' ' A' ' 61' ' ' PHE . 7.8 p -127.31 140.28 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.421 ' HB3' ' CE2' ' A' ' 81' ' ' PHE . 8.2 ptm180 -128.08 146.86 60.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 106.76 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -60.36 109.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -45.22 -32.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -88.68 126.17 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -111.97 171.98 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 20.5 p -88.43 165.11 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.52 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m -153.13 126.98 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -114.72 -77.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.55 68.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -112.96 127.36 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.7 p 42.81 42.06 2.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 t -114.18 99.8 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -153.54 158.5 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.34 153.65 7.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -114.48 -5.62 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -124.15 83.19 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.92 -77.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.44 176.23 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.32 -41.16 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.5 p -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -59.24 -40.59 86.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.78 -43.05 98.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 -46.53 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.77 -44.64 95.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.25 -44.25 92.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.51 -40.23 90.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.98 -49.88 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.3 tp -59.91 -41.18 91.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -62.92 -40.82 98.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.8 mm100 -67.53 -48.73 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.02 -43.98 90.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -45.62 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.35 -39.22 78.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 m -66.61 -30.25 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CD2' HG11 ' A' ' 113' ' ' VAL . 7.8 m-85 -90.29 -0.17 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.1 p -65.95 157.38 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.12 -36.73 80.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.87 -43.87 74.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.41 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 4.2 t30 -71.61 -36.67 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 67.8 mt -64.26 -38.88 92.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -79.89 -27.24 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -89.46 -13.67 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 34.8 t0 -102.18 79.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.7 -33.42 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -64.36 -46.96 81.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 66' ' ' LEU . 12.2 tp -59.81 -44.09 94.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.978 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 65.3 mt -65.54 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.79 -30.35 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.16 -26.96 32.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.419 ' HE3' ' CD1' ' A' ' 82' ' ' ILE . 19.8 mtt -52.56 160.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 20.3 p30 -105.85 176.9 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -56.84 -26.99 59.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 2.1 m-20 -91.21 26.09 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.446 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 8.3 mm-40 45.04 27.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 10.8 m-85 -104.39 137.75 41.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 72.0 mt -103.53 138.54 19.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 52.6 Cg_endo -69.87 135.9 31.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.2 mt -62.87 -32.62 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -60.08 -37.96 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -65.18 -44.9 86.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.27 -45.09 97.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -21.9 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.69 -17.21 42.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.2 mtt -50.06 135.51 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -57.67 -49.87 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.69 -46.0 87.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -60.88 -35.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -69.71 -40.37 76.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -66.95 -29.77 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mt -88.1 -36.93 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.445 HG22 ' CD2' ' A' ' 102' ' ' LEU . 37.7 m -158.24 131.69 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.99 28.78 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -120.28 133.4 23.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.82 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.445 ' CD2' HG22 ' A' ' 97' ' ' THR . 25.7 tp -63.84 -45.68 88.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.58 -43.62 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.53 -35.93 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.994 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.38 -44.28 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 27.1 mt -65.95 -48.03 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -71.25 -21.54 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.7 t -85.81 -21.55 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 t -96.31 134.53 23.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.738 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.87 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 mtp -39.92 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.567 HG11 ' CD2' ' A' ' 61' ' ' PHE . 18.6 m -128.64 157.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -145.04 124.54 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 16.2 t -96.07 134.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -42.01 143.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -43.24 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -72.05 -44.6 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.51 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -118.98 -29.29 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -140.17 149.42 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 123' ' ' ARG . 4.8 p -130.3 144.38 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.56 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 9.0 ptm180 -138.52 146.11 49.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.73 2.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 109.71 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -88.97 34.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? 58.26 40.36 24.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -84.89 38.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 2.1 t -135.2 142.65 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.4 mp -94.69 97.94 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.4 p 43.36 47.97 5.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.41 -163.05 51.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.51 20.1 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.6 p -45.46 143.98 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.7 p -112.94 127.9 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.445 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.2 t -134.91 119.92 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -106.65 165.11 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.12 -148.55 25.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -138.4 132.52 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.4 m -97.86 101.33 12.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.06 -142.11 6.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.49 175.31 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.3 163.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -115.35 173.23 6.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.3 m -58.03 -31.99 67.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.97 -42.48 99.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -33.33 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.61 -46.21 59.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.96 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.52 -42.94 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.49 -47.74 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.01 -39.76 86.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.21 -42.52 99.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -66.99 -35.22 79.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 34.3 mm-40 -67.41 -48.56 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 107' ' ' LEU . 86.5 mt -64.7 -44.38 90.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.56 -45.84 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 65.4 t80 -65.98 -47.66 73.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 50.6 m -57.49 -39.19 75.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.86 0.85 45.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -61.16 153.67 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 5.5 mmm180 -58.31 -45.74 87.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -70.89 -43.83 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.4 OUTLIER -62.45 -38.8 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.487 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 29.5 mt -66.61 -45.39 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -66.6 -25.27 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -90.82 -27.93 18.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -89.5 76.58 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.8 -31.39 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.53 -46.74 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.91 -42.47 98.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 53.6 mt -65.86 -37.8 80.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -69.85 -27.96 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -82.12 -26.82 33.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.9 mtt -47.74 174.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -107.73 -175.95 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -64.64 -40.06 94.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.73 33.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.32 43.31 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ASP . 11.6 m-85 -116.1 139.26 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 53.5 mt -109.97 137.36 20.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.674 0.749 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.499 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.1 Cg_endo -69.73 136.53 33.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.468 ' CD1' HD21 ' A' ' 104' ' ' LEU . 63.4 mt -63.16 -31.95 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.499 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.1 p-90 -60.8 -40.46 92.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 7.9 m -62.6 -43.81 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.95 -36.85 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.81 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -84.88 -13.24 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.6 mtt -57.3 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.12 77.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 56' ' ' GLN . 16.2 pt-20 -63.86 -44.76 92.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.1 mm -67.69 -32.98 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -73.71 -41.13 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -71.36 -25.31 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.415 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 81.0 mt -94.48 -28.38 15.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 30.8 m -156.75 133.73 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 p -117.03 34.91 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -136.28 134.91 20.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.807 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -43.2 2.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.554 2.169 . . . . 0.0 112.385 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.62 -41.06 98.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.2 tp -63.21 -46.76 85.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.15 -51.05 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 84' ' ' ILE . 69.7 mt -58.9 -39.71 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.87 -44.7 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.7 -53.24 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 26.7 mt -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.62 -29.99 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.9 t -75.85 -22.89 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.9 t -91.91 137.5 25.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.714 0.769 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.74 -46.92 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.6 mtp -39.91 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 111' ' ' PRO . 29.5 m -137.68 166.72 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -140.76 132.81 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 59.1 t -108.0 120.61 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.5 t70 -39.88 134.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 30.2 mm-40 -37.93 -47.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.01 -50.06 74.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.67 47.82 1.74 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.85 -35.05 5.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.46 153.59 48.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.7 p -132.94 144.68 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HD3' ' CE2' ' A' ' 81' ' ' PHE . 13.3 ptt85 -145.56 149.35 40.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.693 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 152.01 69.56 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.0 p -63.96 95.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -47.98 -32.14 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -146.99 124.97 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -128.82 26.0 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 71.7 m -43.11 -52.37 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 79.1 mt -113.43 124.09 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' GLY . 91.0 p -125.93 44.73 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 35.49 75.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -10.38 28.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -79.81 97.73 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.7 m -136.21 162.59 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.555 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p -120.94 88.15 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.1 p -60.93 155.54 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.88 102.09 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 t -145.91 165.28 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -42.2 163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.51 58.85 2.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.3 111.44 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.2 p -65.05 153.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 m -129.33 -42.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 t -59.63 -41.05 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.143 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -69.13 -42.73 75.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.9 -33.86 74.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.86 -45.74 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -63.62 -44.94 92.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.09 -44.98 94.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 74.5 m -59.88 -42.28 93.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 57' ' ' LEU . 10.3 tp -59.92 -42.99 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -62.56 -38.99 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -66.9 -38.37 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -70.12 -42.96 71.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 53' ' ' LEU . 79.8 mt -64.99 -43.56 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.77 -45.6 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 4.6 t80 -70.39 -37.06 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.46 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 17.0 m -68.03 -31.04 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.537 ' CD2' HG12 ' A' ' 113' ' ' VAL . 6.5 m-85 -94.99 3.83 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 153.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.74 -43.65 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 4.3 t30 -63.65 -42.98 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.35 -44.94 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.0 t -65.86 -34.6 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -33.97 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.09 77.99 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -53.25 -32.0 46.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -66.43 -46.84 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.71 -41.65 91.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.4 mt -65.05 -38.59 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -68.69 -28.42 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.01 -24.88 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 mtt -48.37 177.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -112.6 -176.43 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.9 m -64.55 -42.94 95.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -88.98 31.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 56.17 48.22 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 23.9 m-85 -118.41 137.36 53.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 17.2 mt -106.59 136.57 19.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.631 0.729 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.7 Cg_endo -69.76 135.91 31.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 0.0 112.421 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.27 -33.58 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.4 p-90 -58.97 -36.98 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.458 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.6 m -63.9 -42.72 97.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.05 -34.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.61 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 1.4 p30 -81.82 -26.37 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 10.2 mtt -40.08 132.58 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.22 -50.3 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.45 -37.53 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 44.0 mm -72.54 -33.16 44.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CD ' ' O ' ' A' ' 89' ' ' ASN . 37.0 mtpt -73.29 -41.74 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -71.78 -29.61 64.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -89.08 -34.25 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 21.4 m -145.02 132.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.1 p -120.09 39.81 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.44 138.26 12.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.521 0.677 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -44.69 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.593 2.196 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.18 -39.13 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.91 -47.15 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.79 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.03 -35.95 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.93 -44.32 89.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG23 ' CD2' ' A' ' 53' ' ' LEU . 71.9 t -61.45 -48.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 22.0 mt -65.94 -44.01 86.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.462 ' CA ' HG23 ' A' ' 115' ' ' VAL . 24.0 ttp180 -72.01 -23.95 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 t -81.9 -23.59 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -94.16 132.27 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -40.88 4.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.8 mtp -42.02 -27.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.537 HG12 ' CD2' ' A' ' 61' ' ' PHE . 19.3 m -133.29 165.33 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -134.7 131.62 37.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.462 HG23 ' CA ' ' A' ' 108' ' ' ARG . 91.2 t -94.93 123.35 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 17.6 t70 -38.42 140.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.13 -69.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -51.18 -44.32 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 105.74 40.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -112.85 -27.49 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 28.3 mtmt -138.16 154.57 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 123' ' ' ARG . 73.5 t -135.51 140.48 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.546 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 17.0 ptt180 -135.07 143.82 47.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.05 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.4 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -66.87 110.12 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -90.05 21.37 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -72.66 -48.28 40.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 59.21 44.53 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 49.3 t -120.95 113.54 20.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.4 pt -113.4 151.37 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.3 p -154.77 106.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -63.65 141.95 46.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.64 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.9 m -97.5 -49.69 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 52.3 m -142.7 108.1 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.1 m -52.13 159.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.795 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -118.95 -46.69 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.76 -166.29 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -88.26 105.09 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -52.69 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 37.51 -134.36 1.0 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.14 155.16 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.39 126.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.1 m -156.1 171.48 20.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -59.09 -30.12 67.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 10.2 pt-20 -64.26 -41.58 96.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.5 m-20 -71.89 -34.94 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.05 -41.31 61.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.95 -40.66 95.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 26.3 pt-20 -68.99 -44.81 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 53' ' ' LEU . 9.5 p -62.24 -46.8 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 11.1 tp -65.56 -40.73 93.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG2' ' CD ' ' A' ' 58' ' ' GLU . 13.6 ttmm -62.89 -38.92 92.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -67.11 -39.03 86.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.5 mm-40 -67.38 -46.86 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' CD1' HD11 ' A' ' 53' ' ' LEU . 79.7 mt -65.07 -45.86 83.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' CD ' ' HG2' ' A' ' 54' ' ' LYS . 83.3 mt-10 -66.9 -45.84 76.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -67.24 -39.86 86.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 m -62.77 -38.23 89.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.56 ' CD2' HG12 ' A' ' 113' ' ' VAL . 11.7 m-85 -85.97 5.03 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -68.15 156.24 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -59.81 -43.53 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -67.75 -42.92 81.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -39.1 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.62 -43.96 97.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.5 t -82.74 -23.12 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -18.07 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -103.44 83.88 2.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -55.5 -34.81 64.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -62.86 -46.92 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.54 -41.69 95.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.3 mt -63.98 -37.21 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.5 t -69.72 -30.87 68.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -83.09 -23.29 33.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.441 ' CG ' HG12 ' A' ' 82' ' ' ILE . 36.0 mtp -69.44 150.6 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.52 175.3 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -58.44 -28.02 64.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -82.39 8.61 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 58.1 33.42 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.8 m-85 -110.39 141.18 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 40.4 mt -113.3 136.78 21.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.5 Cg_endo -69.83 134.72 28.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.461 HD12 ' CD2' ' A' ' 104' ' ' LEU . 73.4 mt -59.45 -31.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.37 -43.34 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.529 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 9.0 m -63.46 -42.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.55 -45.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -16.99 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -15.49 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.6 mtt -54.27 135.94 43.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.15 -46.64 82.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.02 -44.59 88.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.93 -31.45 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.87 -41.88 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.87 -26.48 61.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 28.4 mt -88.4 -36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.6 m -149.62 134.6 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -116.0 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -140.1 127.9 12.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.502 0.668 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -39.93 5.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -62.0 -44.06 97.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.31 -46.46 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.74 -44.62 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD2' HD12 ' A' ' 84' ' ' ILE . 25.8 mt -62.83 -37.31 86.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 109' ' ' SER . 34.8 tt0 -64.18 -41.81 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.402 HG13 ' CD1' ' A' ' 57' ' ' LEU . 87.7 t -63.55 -44.91 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.95 -48.91 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -31.73 70.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 30.9 m -71.93 -23.87 61.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -98.86 138.92 20.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.5 Cg_endo -69.74 -50.85 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' PRO . 34.0 mtp -34.9 -32.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 61' ' ' PHE . 30.9 m -128.1 154.24 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -131.17 132.99 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.42 125.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.7 t0 -39.95 128.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' ASP . 11.4 pt-20 -34.48 -48.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -64.37 -48.28 76.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 105.88 56.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -127.48 -32.66 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -138.71 150.75 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 123' ' ' ARG . 1.6 p -126.98 138.42 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.569 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 22.4 ptt85 -132.81 145.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.79 10.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.0 m -90.67 86.38 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.01 16.3 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -86.62 120.98 28.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -42.42 -51.1 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 130' ' ' ILE . 42.2 t -95.34 108.99 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 129' ' ' CYS . 5.3 mp -36.23 -62.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.8 p -75.83 99.12 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.28 -171.27 29.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 159.2 54.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -168.17 139.53 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.8 m -66.8 158.43 30.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.8 p -91.84 108.46 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 m -110.36 115.46 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -105.12 -168.41 24.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.9 p -45.78 128.45 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 110.786 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -50.26 146.95 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.39 -103.96 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.97 162.35 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 p -165.98 141.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.5 m -135.14 173.85 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -34.32 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -41.96 99.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.64 -41.24 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.82 -43.49 83.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -63.66 -45.0 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.75 -43.69 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.84 -42.71 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -60.08 -42.67 95.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -62.96 -39.14 93.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -67.03 -35.22 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.2 mm-40 -67.21 -47.24 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.99 -44.2 90.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.61 -45.19 79.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 m -67.23 -32.16 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CE2' HD13 ' A' ' 82' ' ' ILE . 5.1 m-85 -91.36 3.34 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -61.81 156.66 19.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -61.75 -45.68 92.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.2 -41.08 74.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -38.26 84.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.92 -43.08 84.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 t -72.16 -25.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -90.1 -26.06 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -86.62 76.53 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.26 -31.15 52.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.85 -46.5 74.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.0 mt -63.05 -41.98 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -65.33 -29.77 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -82.37 -24.23 34.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.416 ' CG ' HG12 ' A' ' 82' ' ' ILE . 23.4 mtp -70.15 151.01 45.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -90.08 -176.08 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -63.94 -36.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -78.46 8.13 5.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 63.39 45.41 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 14.1 m-85 -116.13 136.94 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 23.7 mt -104.88 136.88 19.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.84 134.29 27.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.302 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.45 ' CD1' HD23 ' A' ' 104' ' ' LEU . 96.5 mt -60.75 -30.08 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.565 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.7 p-90 -62.08 -45.07 95.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 37.9 m -63.21 -43.98 96.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.23 -44.97 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.67 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.44 -11.45 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.9 mtp -54.71 140.05 37.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.42 -49.76 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.68 -45.93 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.2 mm -62.73 -39.19 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.49 -43.91 79.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.59 -31.92 72.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 71.2 mt -85.57 -36.97 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.451 HG22 ' CD2' ' A' ' 102' ' ' LEU . 62.8 m -164.02 145.7 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.2 p -118.51 15.53 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.454 ' OD1' ' CG ' ' A' ' 101' ' ' ASP . 13.5 t0 -96.67 124.11 51.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -45.12 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 102' ' ' LEU . 2.7 p30 -62.02 -39.55 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.499 ' N ' ' OD1' ' A' ' 101' ' ' ASP . 28.1 tp -64.81 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.58 -47.99 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 84' ' ' ILE . 25.5 mt -59.89 -36.92 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.07 -38.68 88.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.22 -45.5 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 35.4 mt -65.98 -49.17 68.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -65.62 -28.17 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -75.83 -24.11 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' VAL . 7.8 t -97.6 139.11 21.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.79 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.5 mtp -41.46 -25.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 10.8 m -131.95 151.16 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.71 129.9 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.05 128.28 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -43.57 139.43 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -39.05 -48.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -68.55 -45.28 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 44.68 1.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -109.79 -24.74 10.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -144.17 152.89 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.0 p -130.44 138.67 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.499 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 7.1 ptm180 -140.5 146.61 45.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.41 14.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -88.05 112.2 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.802 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -91.9 35.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -100.35 99.4 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.15 154.51 33.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 5.3 t -116.7 140.86 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.2 tp -135.83 116.79 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.5 t 40.06 43.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.05 -169.65 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 151.69 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 51.3 p -78.91 154.7 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.3 t -117.75 -54.45 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m 43.99 40.96 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.6 t -140.25 151.0 44.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.08 113.91 0.46 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.2 m -90.33 117.79 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.4 m -60.35 131.65 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.88 167.82 11.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.591 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.7 132.55 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 m -94.58 128.79 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.5 m -76.14 176.91 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -64.75 -40.32 95.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -59.41 -42.58 92.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -65.9 -45.79 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.98 -45.81 87.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.48 -44.73 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.82 -44.35 94.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.99 -41.93 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -61.07 -41.35 96.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -67.11 -35.2 79.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.425 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.8 mm-40 -66.51 -47.35 73.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD11 ' CG1' ' A' ' 106' ' ' VAL . 40.9 mt -64.88 -46.09 83.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.03 -45.92 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 62.7 t80 -66.47 -41.96 88.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.6 m -65.42 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CD2' HG11 ' A' ' 113' ' ' VAL . 8.0 m-85 -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -61.54 155.52 21.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -60.0 -45.14 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.58 -43.05 73.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -62.73 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 72' ' ' LEU . 54.4 mt -63.5 -42.49 98.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.4 t -69.35 -33.09 72.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -80.56 -29.5 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -86.82 82.65 7.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.02 -34.22 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -64.36 -46.1 84.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' CD2' HD23 ' A' ' 66' ' ' LEU . 13.5 tp -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.4 mt -66.44 -40.83 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -69.79 -28.21 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -82.44 -23.95 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.5 mtt -51.2 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -129.48 -177.94 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -55.66 -49.99 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -84.41 23.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 61.27 42.25 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.0 m-85 -101.12 137.71 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 11.1 mt -110.9 136.27 20.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.559 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.3 Cg_endo -69.73 133.93 26.8 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.439 HD13 ' CD2' ' A' ' 104' ' ' LEU . 70.1 mt -65.22 -31.23 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.6 p-90 -62.23 -36.78 83.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.464 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -63.2 -45.0 93.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.08 -34.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.9 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 0.8 OUTLIER -86.59 -24.8 25.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.465 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.6 mtt -34.95 136.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.18 -52.13 66.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -58.58 -45.99 87.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 37.7 mm -57.43 -39.95 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -68.21 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -70.51 -33.05 70.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.6 mt -86.91 -36.71 18.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.454 HG23 ' CD2' ' A' ' 102' ' ' LEU . 87.5 m -165.73 144.5 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 p -115.54 19.11 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -104.63 124.06 38.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.536 0.684 . . . . 0.0 110.912 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -38.05 8.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.13 -43.51 95.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HG23 ' A' ' 97' ' ' THR . 37.6 tp -63.75 -43.83 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.88 -48.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.439 ' CD2' HD13 ' A' ' 84' ' ' ILE . 26.2 mt -60.63 -37.57 81.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.17 -39.68 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 53' ' ' LEU . 77.9 t -65.9 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.443 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 33.1 mt -65.19 -46.66 79.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -70.51 -25.49 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.1 m -72.02 -28.03 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 141.79 23.25 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.66 -47.72 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . 9.3 mtp -35.64 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.514 HG11 ' CD2' ' A' ' 61' ' ' PHE . 11.6 m -128.76 147.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -131.69 129.7 41.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.33 132.77 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.45 144.07 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.93 -49.47 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -59.21 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.71 45.21 1.98 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -120.51 -22.23 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -144.1 144.07 31.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 123' ' ' ARG . 7.6 p -130.69 140.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 2.2 ptp85 -127.34 144.9 52.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 106.09 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' HIS . 1.3 t -52.51 102.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 126' ' ' HIS . 2.3 t60 -34.44 -39.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -76.18 123.68 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 140.89 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.2 p -77.33 150.76 35.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.44 ' CD1' ' C ' ' A' ' 130' ' ' ILE . 2.0 pp -90.69 165.84 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.9 p -100.61 117.69 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 178.69 146.84 6.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 165.94 29.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.9 m -125.81 -51.28 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 69.2 p -64.21 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.48 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.0 p -65.35 -43.72 89.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 t -78.5 -52.19 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.8 123.59 5.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m -112.1 173.87 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -127.56 137.4 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.14 -178.0 19.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.25 87.13 4.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.98 163.07 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -120.69 177.45 5.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -61.49 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.95 -41.53 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.08 -35.44 76.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.46 -39.05 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -65.01 -45.1 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 13.3 pt-20 -65.16 -40.65 94.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 5.8 m -61.69 -47.33 85.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.06 -41.02 91.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -59.19 -44.64 92.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -67.03 -35.56 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.46 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.1 mm100 -66.05 -48.69 70.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 107' ' ' LEU . 72.9 mt -64.99 -45.03 87.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.66 -43.5 84.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 45.3 t80 -67.35 -46.74 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.9 m -61.32 -31.65 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 82' ' ' ILE . 14.0 m-85 -93.57 1.06 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -62.77 155.68 25.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -60.62 -44.76 95.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.2 -43.11 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -66.33 -37.64 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.825 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 40.0 mt -64.47 -45.17 88.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 t -67.88 -30.74 70.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -80.39 -35.83 34.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.8 t0 -81.39 81.6 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.12 -36.31 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.07 -46.99 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HB2' ' CG ' ' A' ' 69' ' ' ASP . 14.4 tp -58.49 -42.55 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 79.0 mt -67.18 -35.28 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -69.32 -29.07 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -83.73 -26.97 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.4 mtt -43.56 164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -101.93 -176.52 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -65.27 -38.26 89.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.13 24.31 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 61.2 43.61 10.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.3 m-85 -112.68 143.18 44.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.566 HD13 ' CE2' ' A' ' 61' ' ' PHE . 14.5 mt -114.54 136.22 22.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.547 0.689 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.79 132.0 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.1 mt -62.68 -32.94 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.527 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -59.58 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.498 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -60.8 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.4 t -77.3 -34.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.76 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.016 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -78.79 -26.23 44.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.424 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.6 mtt -42.36 131.07 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.1 -45.8 86.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -62.09 -41.8 98.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.424 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 47.3 mm -67.1 -33.92 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -72.79 -46.82 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.46 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 52.9 mt -84.03 -34.33 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.467 HG23 ' CD2' ' A' ' 102' ' ' LEU . 32.4 m -162.82 143.04 9.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.4 p -120.27 20.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.4 126.53 27.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 0.0 110.944 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.36 11.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.61 -44.12 91.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 97' ' ' THR . 30.0 tp -64.22 -44.48 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.26 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.1 mt -59.86 -39.26 84.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.0 tp10 -62.17 -44.0 97.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.0 t -61.86 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 29.2 mt -62.56 -48.4 79.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -68.57 -25.52 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 38.7 t -81.48 -18.72 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t -97.76 139.69 21.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.2 Cg_endo -69.84 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . 52.0 mtp -34.23 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 61' ' ' PHE . 33.3 m -130.36 167.47 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -145.16 129.77 18.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.0 t -94.93 129.01 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' GLU . 35.6 t0 -49.54 139.08 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' ASP . 34.9 tt0 -35.09 -51.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -62.72 -47.89 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.45 59.26 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.547 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -124.89 -36.4 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -137.22 149.43 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.457 HG12 ' CZ ' ' A' ' 61' ' ' PHE . 5.6 p -127.42 144.22 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.532 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.5 ptt180 -134.42 146.49 59.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 126' ' ' HIS . 53.8 Cg_endo -69.78 116.96 4.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' MET . 91.5 p -45.69 92.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' PRO . 90.2 m-70 -44.04 -43.42 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -126.52 165.03 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.45 79.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.7 t -91.61 -52.06 4.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mm 53.7 45.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -116.77 163.41 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.28 13.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -31.52 20.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.8 m -85.26 149.33 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.8 p -71.42 -42.62 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.9 m -155.03 170.75 21.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -133.87 157.38 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.6 -162.25 33.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -153.32 119.03 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -97.61 153.65 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.05 83.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.45 121.69 44.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 2.4 p -129.69 -3.92 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -133.57 168.64 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -65.45 -34.5 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.93 -40.86 95.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.78 -42.43 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.799 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.45 -45.97 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -63.09 -41.63 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.57 -40.01 95.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.4 t -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.74 -38.35 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.59 -48.26 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 56' ' ' GLN . 8.8 pttp -67.61 -34.52 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.1 mm-40 -66.72 -46.31 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 87' ' ' VAL . 79.6 mt -65.03 -45.5 85.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -65.92 -41.66 91.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -68.22 -37.55 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 14.3 t -64.77 -40.65 95.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.48 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 7.6 m-85 -83.64 2.69 36.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.8 t -62.84 149.59 43.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -56.52 -44.24 80.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.7 -42.28 77.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 4.1 t30 -62.89 -44.22 96.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 91.8 mt -61.29 -45.54 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -66.86 -32.17 73.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -85.11 -17.97 35.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -101.51 75.53 1.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.38 -28.93 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -68.66 -47.0 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.8 tp -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 71.9 mt -66.68 -38.61 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -69.6 -28.52 66.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -82.49 -26.32 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.6 mtt -45.59 170.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . 21.0 t70 -106.79 166.57 10.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -51.96 -27.41 13.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.5 31.11 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 54.01 30.95 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 9.6 m-85 -102.06 137.36 40.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.48 HD11 ' CZ ' ' A' ' 61' ' ' PHE . 28.7 mt -110.14 136.89 20.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.521 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.4 Cg_endo -69.72 133.65 26.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.41 HD12 ' C ' ' A' ' 120' ' ' GLU . 45.2 mt -64.98 -27.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.521 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 3.1 p-90 -64.76 -32.0 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -68.91 -41.69 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 57' ' ' LEU . 47.2 t -76.96 -36.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.05 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -79.82 -19.22 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.412 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.8 mtt -47.65 143.0 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -64.04 -51.95 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 25.0 pm0 -62.22 -30.6 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.47 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 19.9 mm -73.86 -37.56 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -67.68 -39.41 84.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.9 -32.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 92.8 mt -85.04 -28.18 25.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 40.3 m -154.84 135.34 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -126.95 40.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.6 137.45 12.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -45.19 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.35 -39.61 93.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.95 -47.23 84.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.35 -48.02 89.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.25 -38.05 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.82 -43.58 88.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.72 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.4 mt -63.62 -47.91 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -67.86 -29.44 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -74.57 -28.13 60.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -94.14 133.31 27.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -44.27 2.23 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -45.03 -22.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.9 m -133.75 142.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -129.67 126.95 39.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.4 t -96.1 132.61 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 119' ' ' GLY . 28.1 t70 -53.18 136.14 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' ASP . 35.2 tt0 -34.19 -46.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -59.99 -46.35 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 94.94 45.93 2.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' C ' HD12 ' A' ' 84' ' ' ILE . 1.2 mp0 -120.82 -30.22 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.972 0.415 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -137.33 154.98 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 123' ' ' ARG . 2.5 p -135.84 145.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.493 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.2 ptp180 -131.09 151.16 78.44 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 116.2 4.46 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.2 m -69.84 99.6 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -51.05 -37.54 46.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.8 167.12 20.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.3 114.17 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.32 105.34 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.4 mp -73.61 79.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.9 p -49.13 138.59 11.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.98 160.94 19.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.46 34.89 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.737 2.291 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 68.7 m -52.93 118.4 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.6 t -93.64 152.77 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.5 p -49.1 169.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -109.0 -51.63 2.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.5 72.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.8 p -95.95 40.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 m -109.06 160.26 16.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.52 -62.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 110.16 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.7 t -84.17 134.1 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.4 m -129.51 173.03 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.9 p -60.05 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -62.27 -42.26 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.84 -42.85 73.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.71 -44.76 95.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -62.35 -45.0 95.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.71 -41.57 98.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -60.92 -47.32 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.0 tp -60.04 -39.3 85.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.14 -42.84 99.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -67.02 -35.04 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.8 mm-40 -65.59 -47.86 74.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 87' ' ' VAL . 82.2 mt -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -66.96 -43.05 84.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -69.89 -43.77 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.421 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.3 t -65.56 -30.23 70.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.3 m-85 -89.99 2.1 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -64.91 155.17 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -71.01 -41.12 71.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -67.53 -38.46 84.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -44.6 84.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -66.46 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -83.33 -22.08 32.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.414 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.5 t0 -91.77 76.06 5.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -54.85 -36.38 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -62.41 -46.43 88.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.414 ' HB2' ' CG ' ' A' ' 69' ' ' ASP . 15.6 tp -60.73 -38.61 85.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.94 -38.57 81.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -70.07 -28.96 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -83.01 -24.28 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.7 mtt -50.93 172.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -111.23 179.52 4.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 p -58.87 -41.02 86.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.96 37.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 50.46 35.42 11.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 7.1 m-85 -99.3 139.97 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 10.9 mt -111.92 136.24 21.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.8 Cg_endo -69.71 128.94 16.8 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.405 HD11 ' C ' ' A' ' 120' ' ' GLU . 55.1 mt -58.98 -32.12 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.6 p-90 -59.03 -43.4 91.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.481 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 19.0 m -62.13 -37.09 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.461 HG12 ' CD2' ' A' ' 57' ' ' LEU . 92.7 t -73.3 -45.07 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -15.7 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.86 -15.23 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.79 134.89 51.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.87 -52.03 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.06 -39.45 89.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.4 mm -69.78 -34.4 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -73.63 -41.34 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -71.74 -26.19 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.6 mt -95.29 -30.03 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 51.3 m -150.38 119.85 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 33.6 p -110.88 36.33 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.36 134.42 18.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.96 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.02 -38.62 91.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.4 tp -62.85 -47.37 83.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.3 -43.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.7 -38.92 86.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.88 -44.94 91.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.9 t -61.88 -45.61 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.429 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 35.2 mt -63.14 -48.95 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -69.43 -20.58 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -86.36 -23.89 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.455 ' HB2' ' CG2' ' A' ' 113' ' ' VAL . 5.2 m -79.5 126.61 80.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.69 36.2 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.0 mtp -87.65 -18.31 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.562 HG12 ' CD2' ' A' ' 61' ' ' PHE . 32.8 m -130.12 152.1 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.62 129.09 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.6 t -98.5 123.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -40.57 140.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -42.7 -52.86 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HE2' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -60.38 -42.84 96.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.12 57.93 1.05 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' C ' HD11 ' A' ' 84' ' ' ILE . 14.5 mt-10 -126.74 -30.01 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -142.73 154.65 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.17 144.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.1 ptp180 -134.06 144.68 52.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.34 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -62.57 104.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.12 35.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -94.97 165.1 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 42.85 46.26 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.0 p -56.7 132.25 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.2 mm -74.73 92.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.1 m -101.79 104.75 15.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -93.3 -158.83 34.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.98 35.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.737 2.292 . . . . 0.0 112.284 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.9 m -49.75 153.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 77.2 p -142.58 160.48 40.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 t -148.03 119.28 7.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 p -116.38 160.33 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -142.88 108.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.0 m -40.31 120.5 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -61.84 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.25 -145.31 4.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -95.26 99.32 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' ALA . 32.7 m 32.08 42.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 m -61.99 178.07 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 m -57.86 -36.49 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.33 -42.81 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -69.43 -29.89 67.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -72.32 -43.41 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.82 -45.06 91.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.71 -48.02 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' CD2' HG21 ' A' ' 106' ' ' VAL . 12.9 tp -59.92 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -62.06 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.0 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 35.2 mm-40 -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 87' ' ' VAL . 38.0 mt -64.36 -43.06 95.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -66.47 -45.97 77.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 6.1 t80 -67.4 -41.23 85.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 113' ' ' VAL . 10.7 m-85 -94.34 5.92 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.9 m -66.55 160.48 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -68.61 -42.51 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -68.28 -35.1 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 34.7 mt -66.44 -45.06 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -69.55 -30.71 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -81.8 -33.64 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.36 85.28 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.79 -35.56 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -63.97 -47.01 82.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 66' ' ' LEU . 13.6 tp -59.43 -45.68 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 62.2 mt -65.14 -33.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -30.95 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -81.99 -26.63 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.8 mtt -43.41 166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -113.28 170.32 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -49.9 -25.25 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -109.26 51.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 33.07 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 79' ' ' ASP . 8.1 m-85 -102.88 138.94 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 24.4 mt -117.46 136.79 23.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.563 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.9 Cg_endo -69.74 125.97 12.78 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.463 HD12 ' CD2' ' A' ' 104' ' ' LEU . 55.7 mt -58.25 -32.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.01 -36.98 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -63.32 -39.27 94.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 57' ' ' LEU . 61.3 t -75.98 -36.9 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.96 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -86.06 -14.18 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtt -53.05 136.65 34.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.06 -44.17 94.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.5 -40.75 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.7 mm -71.45 -29.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -73.22 -40.77 64.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -73.36 -29.93 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 70.7 mt -87.97 -32.16 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 52.3 m -147.19 137.4 23.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.2 p -124.32 31.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -134.59 135.84 24.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.07 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.14 -48.05 80.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.22 -50.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.463 ' CD2' HD12 ' A' ' 84' ' ' ILE . 27.6 mt -57.17 -36.11 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.01 -45.04 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.42 HG21 ' CD2' ' A' ' 53' ' ' LEU . 93.4 t -62.73 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.426 ' HG ' ' CD1' ' A' ' 57' ' ' LEU . 22.5 mt -62.34 -49.11 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -71.93 -17.32 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 m -84.41 -27.1 27.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -96.18 137.79 21.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.65 -49.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 125' ' ' SER . 38.0 mtp -34.21 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' A' ' 61' ' ' PHE . 31.1 m -128.63 163.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -142.55 136.65 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 61.8 t -102.42 121.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -39.28 159.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -59.23 -36.67 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -77.25 -35.52 55.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.86 51.86 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -123.99 -35.76 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -135.98 143.81 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.7 m -124.86 148.91 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -131.84 143.67 50.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.05 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' MET . 20.3 t -75.86 112.22 12.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -96.73 32.57 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -132.82 118.32 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.405 ' HD2' ' C ' ' A' ' 128' ' ' ARG . 0.4 OUTLIER -134.28 169.91 16.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.04 139.86 18.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -50.01 110.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.4 t -81.42 -48.15 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.08 147.33 5.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -20.84 34.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -71.08 116.96 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -59.42 146.38 40.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 p -140.73 131.24 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 p -133.04 144.55 50.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.36 113.22 2.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -88.92 81.74 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.11 138.08 43.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.59 -43.35 6.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.32 87.26 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -50.77 147.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.7 p -97.54 169.95 9.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 t -58.49 -31.71 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.36 -42.69 92.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.6 -45.71 74.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.34 -45.39 91.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.42 -45.01 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.29 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -59.53 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD23 ' CB ' ' A' ' 97' ' ' THR . 9.7 tp -59.97 -40.59 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -62.14 -42.01 98.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -67.05 -35.11 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.414 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 50.4 mm-40 -66.28 -49.59 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.02 -44.94 87.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.97 -45.96 79.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 33.9 t80 -68.58 -39.19 81.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.77 -34.6 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -88.45 1.28 55.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 t -61.6 157.87 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.38 -45.3 94.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 8.6 pt-20 -70.35 -43.0 71.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -65.35 -37.73 87.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 ' CD2' HD23 ' A' ' 72' ' ' LEU . 20.3 mt -66.09 -45.6 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -70.32 -25.15 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -86.28 -33.36 20.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.7 t0 -83.14 78.02 9.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.04 -33.49 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.67 -46.77 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 66' ' ' LEU . 13.5 tp -60.02 -42.03 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.88 -41.41 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -69.63 -26.9 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -83.1 -26.42 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.413 ' CG ' HG12 ' A' ' 82' ' ' ILE . 11.1 mtt -47.33 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 7.6 t0 -107.56 -175.05 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -61.24 -44.46 97.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.15 26.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.61 32.35 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' ASP . 13.7 m-85 -101.29 138.05 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 16.2 mt -111.97 136.54 21.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.513 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 137.02 34.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 104' ' ' LEU . 34.1 mt -65.43 -27.98 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.513 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -64.44 -40.69 96.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 4.7 m -60.91 -45.03 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.3 t -77.33 -34.63 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.54 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -79.0 -21.14 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.42 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.8 mtt -45.48 131.82 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.66 -46.38 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.08 -38.81 92.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.42 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 38.5 mm -71.49 -36.78 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -70.65 -40.3 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -73.86 -30.24 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.2 mt -87.71 -29.56 21.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.47 ' CB ' HD23 ' A' ' 53' ' ' LEU . 31.7 m -162.09 113.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.93 33.11 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -126.04 130.19 24.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -45.03 1.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.05 -41.58 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.96 -42.65 97.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.9 -44.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 84' ' ' ILE . 41.9 mt -60.16 -40.6 90.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.07 -43.62 91.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.1 -44.62 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 25.7 mt -65.67 -49.05 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -71.85 -16.92 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -86.87 -24.49 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -88.01 131.22 43.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -18.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.0 mtp -78.61 -12.38 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 27.7 m -140.86 152.27 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -136.88 123.19 20.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 38.6 t -95.67 127.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.63 138.37 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.42 -50.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.81 -43.96 81.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.88 55.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.41 ' C ' HD12 ' A' ' 84' ' ' ILE . 17.0 mm-40 -130.11 -32.46 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -136.91 146.37 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.0 p -128.92 146.35 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.448 ' HD2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 ptm180 -134.01 147.57 64.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.26 3.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.4 p -79.73 115.76 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -91.25 31.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -115.55 80.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -89.94 166.34 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 84.5 m -83.54 120.99 26.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.1 tt -60.5 -14.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -157.59 165.41 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.84 -165.6 36.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.421 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -26.91 26.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.6 t -95.88 156.03 16.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.4 m -112.95 167.2 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m 44.29 42.23 5.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.0 110.929 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.9 p -95.66 -48.04 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.25 72.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 t -114.71 103.83 11.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.943 0.401 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -158.9 150.34 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.61 -173.9 22.08 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.57 143.2 50.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.874 0.369 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.1 p -101.55 120.05 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.2 m -104.62 170.22 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -58.48 -35.56 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.09 -42.99 95.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.75 -47.94 67.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.41 -45.76 90.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -37.48 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.4 m -61.41 -49.74 75.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.4 tp -59.89 -40.97 90.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -62.82 -41.51 99.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.17 -34.94 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.21 -48.37 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 50.8 mt -63.06 -45.47 92.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.59 -45.98 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 16.1 t80 -64.48 -45.84 85.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.7 t -62.94 -30.87 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.564 ' CD2' HG13 ' A' ' 113' ' ' VAL . 7.3 m-85 -91.81 -0.41 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -62.18 156.3 22.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.32 -45.79 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.36 -43.08 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -64.12 -40.92 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' O ' ' CG1' ' A' ' 73' ' ' ILE . 27.2 mt -63.33 -45.74 89.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.7 t -77.25 -15.46 59.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -91.69 -30.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -91.36 91.58 8.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.46 -43.17 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.0 -46.99 86.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' CD2' HD22 ' A' ' 66' ' ' LEU . 14.8 tp -58.75 -44.58 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -62.02 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -69.56 -26.42 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -84.51 -23.6 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.3 mtt -48.02 173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t0 -108.24 -174.97 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -65.28 -37.31 86.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 5.2 t0 -99.04 27.91 4.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 63.37 52.96 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' ASP . 22.1 m-85 -119.51 140.8 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 50.7 mt -112.1 136.95 21.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.707 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.4 Cg_endo -69.65 138.94 39.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 104' ' ' LEU . 46.8 mt -66.04 -30.45 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 4.9 p-90 -62.57 -39.97 95.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 5.8 m -63.1 -42.1 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.14 -35.49 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.08 -20.3 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' TRP . 2.4 m-80 -89.01 -14.11 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.415 ' CB ' HG12 ' A' ' 93' ' ' ILE . 7.6 mtt -56.39 131.34 48.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -54.98 -50.77 68.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -39.34 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.415 HG12 ' CB ' ' A' ' 90' ' ' MET . 29.0 mm -72.31 -33.29 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -73.44 -39.74 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.54 -29.1 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.52 -31.54 19.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.439 ' CG2' HD21 ' A' ' 102' ' ' LEU . 6.2 m -156.26 127.74 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.4 40.91 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -138.71 134.08 17.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.88 5.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.18 -42.28 89.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 HD21 ' CG2' ' A' ' 97' ' ' THR . 36.3 tp -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.38 -46.99 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 84' ' ' ILE . 49.1 mt -57.87 -39.97 79.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 109' ' ' SER . 43.3 tt0 -66.11 -40.37 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 50.3 t -65.23 -43.57 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.07 -49.15 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 13.6 ttm105 -72.19 -17.23 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 17.6 t -86.01 -25.41 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.4 m -78.06 128.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 125' ' ' SER . 36.3 mtp -93.6 -27.3 16.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 61' ' ' PHE . 15.2 m -131.01 147.84 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.447 ' OE1' ' C ' ' A' ' 113' ' ' VAL . 4.0 mp0 -133.34 141.79 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.8 t -99.41 131.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 117' ' ' GLU . 10.6 t70 -44.15 138.82 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ASP . 19.4 tp10 -37.82 -52.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.08 85.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.48 60.45 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -129.46 -33.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -141.12 153.07 45.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.02 134.92 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 13.2 ptt180 -119.82 144.0 36.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.48 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.8 m -60.1 99.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -91.16 39.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -153.43 148.56 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -103.25 162.98 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.96 153.08 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.1 mt -106.26 -44.14 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -120.11 95.79 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.23 -158.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 143.11 49.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.61 2.207 . . . . 0.0 112.33 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 85.2 p -78.27 128.71 34.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.9 p -90.13 119.36 30.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -48.98 122.45 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.0 p -174.62 154.98 2.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.36 120.1 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -139.36 112.95 8.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -115.1 158.95 21.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.22 140.77 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.65 142.54 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -106.82 -44.46 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.9 t -174.18 112.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.6 m -59.21 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -60.95 -42.81 98.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.96 -35.78 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.23 -46.95 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.16 -38.92 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -61.9 -47.64 84.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 tp -59.92 -41.18 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 27.4 ttpt -61.97 -40.59 96.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -67.07 -40.04 86.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -62.81 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.935 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.88 -44.07 90.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.06 -45.98 79.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.07 -42.8 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.79 -31.35 72.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.401 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 6.8 m-85 -89.95 -0.02 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -58.6 158.72 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -61.57 -45.89 92.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.28 -42.37 72.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -38.32 88.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 38.3 mt -65.67 -45.12 84.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -75.13 -17.65 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -94.11 -29.24 15.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -86.54 81.48 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.89 -40.36 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -59.53 -46.88 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.45 -41.31 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.1 mt -68.43 -35.77 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.93 -27.53 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -85.77 -26.31 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 mtt -44.7 165.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' PHE . 23.1 t70 -102.58 176.69 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -56.26 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -92.57 28.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 58.84 32.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.8 m-85 -102.99 138.0 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 41.3 mt -103.43 137.12 19.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.5 Cg_endo -69.65 138.5 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.04 -31.39 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.469 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -59.32 -39.74 84.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 45.1 m -65.78 -43.97 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.19 -45.12 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.15 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -22.51 27.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.0 mtp -48.32 140.59 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.83 -50.17 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -64.07 -39.87 95.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 30.9 mm -68.99 -32.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -72.21 -45.77 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -68.73 -28.53 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 59.1 mt -86.5 -33.73 20.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.47 HG23 ' CD2' ' A' ' 102' ' ' LEU . 96.7 m -151.26 141.54 22.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -125.69 27.71 6.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -132.17 136.79 28.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.873 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -43.38 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.255 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.96 -41.43 97.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 97' ' ' THR . 25.5 tp -63.02 -45.01 94.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.28 -44.59 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 26.8 mt -62.13 -36.57 82.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -64.97 -44.39 89.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 54' ' ' LYS . 99.3 t -60.98 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 26.1 mt -63.24 -48.11 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -63.42 -33.1 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -75.79 -11.07 59.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -99.9 119.18 60.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.52 16.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 mtp -90.46 8.26 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 20.9 m -151.05 160.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.0 tp60 -125.07 131.8 53.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.956 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.2 127.72 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' GLY . 27.6 t70 -53.13 134.7 38.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' ASP . 73.9 mm-40 -35.66 -41.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -78.53 -41.14 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 98.92 49.92 1.55 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -110.17 -32.91 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -139.89 148.78 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.05 135.87 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.532 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.4 ptt180 -129.21 151.31 77.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.99 9.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.2 p -99.96 109.68 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -111.56 37.54 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -92.88 42.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -160.64 143.78 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 73.9 m -78.22 112.26 15.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.02 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 t 58.71 46.12 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 117.92 83.67 0.94 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.423 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -3.2 11.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p 56.66 43.99 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.3 t -125.73 116.47 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.474 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.3 p -115.18 123.7 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -83.32 -62.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.88 70.07 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.559 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 m -73.73 124.83 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.3 m -124.38 164.17 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.23 -117.96 4.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.31 114.04 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.35 82.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -72.61 -38.85 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.1 t -65.45 -41.75 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -67.46 -42.95 82.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 3.6 t0 -68.31 -36.8 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.6 mt -70.66 -47.03 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -64.95 -45.05 87.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.22 -38.36 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -65.63 -50.48 64.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.95 -37.59 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.77 -44.11 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.459 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 58.2 mm-40 -64.78 -49.93 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.5 mt -60.43 -44.97 95.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -61.57 -46.02 91.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -69.38 -35.44 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CE ' ' A' ' 90' ' ' MET . 3.2 t -67.4 -38.34 84.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' CD2' HG12 ' A' ' 113' ' ' VAL . 17.3 m-85 -85.08 -0.45 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 p -59.17 154.15 16.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 63' ' ' ARG . 26.1 mtm105 -61.54 -42.5 98.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.99 -42.72 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.45 -38.67 84.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 72' ' ' LEU . 54.2 mt -64.04 -43.96 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.2 t -72.91 -29.13 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -83.94 -28.17 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -86.37 77.36 9.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.0 mt -53.82 -31.04 47.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -66.19 -46.87 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' A' ' 66' ' ' LEU . 13.9 tp -61.86 -40.4 95.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 54.8 mt -66.19 -36.79 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -68.83 -32.68 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.28 -22.97 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.8 mtt -52.0 169.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.68 -179.09 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.9 t -57.01 -45.1 83.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.432 ' HB2' ' CD2' ' A' ' 81' ' ' PHE . 1.2 m-20 -84.59 20.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 62.96 27.77 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 4.9 m-85 -89.61 137.05 32.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 51.9 mt -110.53 137.84 20.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 111.201 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.548 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.42 HD13 ' CD2' ' A' ' 104' ' ' LEU . 41.5 mt -59.7 -32.31 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.548 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 4.3 m -64.16 -43.81 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.19 -45.09 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.59 -18.2 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.0 -9.55 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.424 ' CB ' HG12 ' A' ' 93' ' ' ILE . 5.4 mtt -56.71 139.62 49.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.04 -50.99 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -63.34 -37.08 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.424 HG12 ' CB ' ' A' ' 90' ' ' MET . 17.1 mm -71.06 -36.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -69.6 -43.44 72.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -31.82 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 83.5 mt -79.4 -37.17 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.45 ' CG2' HD22 ' A' ' 102' ' ' LEU . 35.9 m -165.85 144.19 5.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.422 ' N ' HG23 ' A' ' 97' ' ' THR . 82.7 p -117.26 22.48 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.4 121.99 48.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.84 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -64.15 -41.87 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.45 HD22 ' CG2' ' A' ' 97' ' ' THR . 28.8 tp -63.05 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.98 -48.46 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' CD2' HD13 ' A' ' 84' ' ' ILE . 24.4 mt -61.7 -38.23 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.37 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.3 t -61.8 -44.07 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt -64.02 -49.07 73.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -68.89 -16.94 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -87.18 -20.13 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 m -96.47 132.96 25.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -32.04 19.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.76 2.307 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.4 mtp -60.25 -23.34 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.558 HG12 ' CD2' ' A' ' 61' ' ' PHE . 20.5 m -129.65 149.58 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.58 129.09 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.44 128.22 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -48.26 146.82 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -44.36 -50.73 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -59.41 -43.23 93.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.35 51.46 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -123.23 -21.97 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -148.13 155.77 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.6 p -134.95 144.7 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.567 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.6 ptp180 -131.41 147.53 66.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.91 109.76 2.42 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.4 p -39.98 125.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -96.45 18.88 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.88 120.4 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -37.94 115.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 35.8 m -153.81 140.92 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 27.8 mm -135.35 136.6 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.5 p -110.06 168.49 9.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.95 22.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -7.23 20.55 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.3 m -63.29 130.09 43.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.8 p -60.65 -178.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -165.5 165.32 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.77 176.39 2.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.48 -116.36 0.49 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t 47.32 42.27 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -101.08 -52.35 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.77 -171.21 23.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.2 38.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.39 152.6 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -129.03 -63.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -59.54 -39.29 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -65.44 -40.73 93.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.4 -34.32 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -73.54 -43.74 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -45.11 91.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.56 -42.33 95.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -58.91 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 106' ' ' VAL . 12.6 tp -60.02 -40.78 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 110' ' ' SER . 48.4 tttp -62.64 -41.12 98.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.12 -37.85 84.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 13.9 mm100 -62.13 -50.08 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.13 -45.61 92.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -70.97 -38.55 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.98 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.1 m-85 -77.55 5.39 9.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -63.67 153.66 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.8 -44.11 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.11 -40.12 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -66.92 -42.03 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 73' ' ' ILE . 54.5 mt -64.3 -41.06 97.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -73.34 -36.75 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -78.07 -24.02 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.97 81.58 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.7 mt -57.82 -37.56 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.19 -46.87 88.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 tp -58.58 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 59.2 mt -62.69 -36.79 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -69.53 -27.38 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -82.38 -26.94 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 mtt -57.65 162.86 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' OD1' ' C ' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -102.44 174.61 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.3 p -50.88 -32.43 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.56 23.67 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 52.03 46.59 26.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 13.4 m-85 -115.07 137.07 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.443 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 6.8 mt -102.73 135.29 19.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.71 137.25 35.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.57 -30.45 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.478 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.94 -41.49 96.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.448 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 97.8 m -68.33 -39.97 81.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.8 t -71.58 -35.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.19 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.53 -10.31 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.4 mtt -58.89 137.2 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -49.77 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.4 mm -66.43 -29.85 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -27.6 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 93.0 mt -90.96 -30.44 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 22.2 m -149.23 131.5 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 p -124.4 28.32 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.9 137.92 29.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.71 3.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -63.03 -42.65 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 22.3 tp -62.99 -42.19 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.3 mt -61.11 -45.72 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -43.58 98.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 53' ' ' LEU . 98.3 t -63.09 -49.69 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.71 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -66.74 -26.2 66.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 t -86.33 -25.34 25.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 54' ' ' LYS . 2.4 t -81.88 116.63 64.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.734 0.778 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -18.85 36.19 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtp -78.5 10.09 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.559 HG12 ' CD2' ' A' ' 61' ' ' PHE . 34.0 m -144.38 159.94 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -130.63 129.12 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.22 133.63 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.53 144.11 55.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -38.46 -44.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.37 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.98 -26.48 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -140.01 151.28 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 123' ' ' ARG . 6.6 p -135.84 137.75 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.476 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 10.5 ptm180 -127.47 150.14 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 110.77 2.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.757 2.305 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -79.06 94.48 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -83.91 41.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.43 -41.78 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 41.02 40.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 14.2 m -124.96 116.7 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.3 mt -70.01 88.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.1 p -143.54 157.01 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.52 76.9 0.76 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 93.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 95.0 p -108.33 102.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.5 p -107.72 83.28 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 p -57.15 127.77 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -83.56 -56.56 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.79 135.35 5.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.5 t -77.33 121.64 24.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -92.56 -48.68 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.18 -43.53 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.56 123.31 26.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -81.85 139.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -120.76 172.68 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 47' ' ' GLU . 5.7 t -58.81 -35.24 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.414 ' N ' HG21 ' A' ' 46' ' ' THR . 23.4 mt-10 -60.46 -40.2 90.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.97 -47.45 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.1 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -64.56 -44.86 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -62.61 -44.54 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -58.23 -48.3 80.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.4 tp -59.97 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -61.65 -46.03 91.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.5 -37.15 86.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.471 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 16.2 mm100 -63.52 -49.36 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.2 mt -65.02 -44.64 88.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.68 -46.01 87.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -71.46 -35.76 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.461 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 24.1 m -67.89 -31.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CZ ' HD13 ' A' ' 82' ' ' ILE . 12.0 m-85 -95.4 4.45 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -61.52 153.1 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.83 -44.3 94.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.0 -43.58 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 7.1 t30 -64.26 -38.91 92.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 72' ' ' LEU . 43.2 mt -64.28 -45.14 89.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.6 t -69.02 -25.79 64.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -86.61 -31.96 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -84.91 79.24 9.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -53.72 -37.42 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.84 -47.02 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' CD2' HD23 ' A' ' 66' ' ' LEU . 14.8 tp -60.42 -39.45 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.2 mt -65.17 -40.22 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.05 -28.11 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -82.39 -26.35 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 mtt -46.21 168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.22 -174.75 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 34.2 t -65.24 -49.37 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.4 t0 -85.69 24.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 78' ' ' SER . 13.1 mp0 63.69 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.521 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 24.2 m-85 -122.82 137.62 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.554 HD13 ' CZ ' ' A' ' 61' ' ' PHE . 32.7 mt -110.02 136.71 20.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.81 141.03 43.95 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.635 2.223 . . . . 0.0 112.324 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 104' ' ' LEU . 57.3 mt -64.96 -29.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD2' ' N ' ' A' ' 86' ' ' THR . 2.2 p-90 -60.63 -44.65 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 8.4 m -63.15 -35.09 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.184 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.12 -45.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.71 -20.3 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.0 -13.89 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.2 mtt -53.92 133.93 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -57.81 -50.23 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.51 -30.32 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.48 -44.22 62.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -69.01 -28.23 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 46.4 mt -85.13 -36.24 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.463 HG23 ' CD2' ' A' ' 102' ' ' LEU . 31.0 m -159.59 135.1 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -119.6 32.13 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -119.32 131.36 24.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.526 0.679 . . . . 0.0 110.87 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -45.05 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -64.5 -39.37 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 97' ' ' THR . 22.4 tp -66.24 -48.04 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.79 -51.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 84' ' ' ILE . 45.0 mt -56.85 -37.73 71.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.73 -44.42 96.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.69 -44.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.9 mt -65.4 -40.96 94.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.45 -32.12 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 p -80.71 -27.95 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -79.77 129.3 71.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.737 0.779 . . . . 0.0 110.815 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.0 Cg_endo -69.75 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.0 mtp -39.93 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 111' ' ' PRO . 5.0 m -130.44 160.68 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -143.37 128.04 18.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.8 t -97.98 132.99 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 119' ' ' GLY . 7.9 m-20 -55.21 139.36 42.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 116' ' ' ASP . 7.0 mm-40 -35.77 -48.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -59.96 -46.94 87.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 96.66 44.81 2.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -114.15 -28.48 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -144.26 149.96 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.07 134.96 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 9.7 ptt180 -123.57 146.08 48.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 107.77 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 m -57.28 100.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -58.33 -42.12 86.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -81.0 113.44 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -88.99 88.25 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 11.3 t -99.11 88.49 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.4 tp -91.64 132.06 37.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m -100.46 94.78 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.4 -173.23 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.47 3.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 135' ' ' SER . 95.3 p -55.68 134.03 51.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.9 m 36.31 45.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.54 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.4 p -115.82 -56.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.1 p 49.62 39.43 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.35 -80.62 1.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.555 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t 61.96 35.91 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -113.3 155.42 25.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.31 -127.8 4.56 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.51 120.79 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.5 m -119.84 126.61 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 m -101.7 -49.02 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.2 t -65.79 -40.49 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.89 -42.79 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.81 -44.93 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.76 -43.16 97.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -64.29 -44.41 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.4 -40.53 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.0 m -62.65 -47.41 83.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.433 HD21 ' CG2' ' A' ' 106' ' ' VAL . 9.7 tp -59.9 -41.49 91.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.37 -40.92 98.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -67.13 -35.85 80.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.6 mm100 -69.17 -46.29 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.72 -45.46 86.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -66.26 -45.89 78.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.544 ' CE2' ' OD1' ' A' ' 65' ' ' ASN . 87.3 t80 -68.68 -37.77 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 m -66.47 -34.86 78.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.433 ' CD2' ' CG1' ' A' ' 113' ' ' VAL . 11.8 m-85 -91.06 5.96 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -65.89 154.52 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -60.23 -46.01 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.45 -43.96 72.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.544 ' OD1' ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.981 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.09 -46.07 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -28.16 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -90.58 -9.38 47.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 20.5 t0 -104.21 74.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.789 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.1 -40.82 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -58.12 -45.73 86.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' HB2' ' CG ' ' A' ' 69' ' ' ASP . 15.4 tp -58.59 -48.83 79.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.07 -29.81 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -65.19 -41.56 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.505 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -82.01 -26.13 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 75' ' ' GLN . 18.2 mtt -43.6 151.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.79 176.9 6.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 m -62.53 -30.4 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.04 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 62.96 29.74 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 11.9 m-85 -103.17 138.73 39.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 30.6 mt -115.97 136.5 22.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.73 142.87 49.22 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.9 mt -65.63 -28.26 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.593 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.5 p-90 -62.71 -45.76 91.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 15.8 m -61.42 -38.53 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.71 -40.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.05 -16.76 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.22 -14.38 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.7 mtt -53.64 135.48 40.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -57.08 -49.25 76.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -44.61 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.81 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.6 mm -68.29 -32.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -75.48 -41.4 55.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -26.86 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 42.5 mt -84.32 -37.02 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 98' ' ' THR . 82.8 m -166.11 144.14 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.432 ' N ' HG22 ' A' ' 97' ' ' THR . 0.6 OUTLIER -119.4 24.65 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.03 120.85 49.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -39.54 6.35 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.91 -42.87 99.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 27.0 tp -63.0 -41.61 99.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.94 -49.66 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.77 -38.32 81.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.53 -43.0 91.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.433 ' CG2' HD21 ' A' ' 53' ' ' LEU . 93.6 t -66.96 -44.72 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 113' ' ' VAL . 28.2 mt -63.08 -49.04 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -18.68 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.4 t -85.07 -26.97 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -90.28 133.2 33.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -31.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.6 mtp -57.93 -26.01 61.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.467 ' CG2' HD21 ' A' ' 107' ' ' LEU . 25.4 m -130.14 150.13 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.0 129.75 40.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.72 130.68 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.4 t0 -56.82 142.92 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.5 mm-40 -36.58 -51.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -58.27 -48.99 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.6 44.68 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -116.92 -15.77 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -151.72 149.04 28.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 p -126.42 146.63 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 16.7 ptt180 -135.44 143.93 47.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 112.1 2.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -63.92 106.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -89.14 32.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -109.55 84.25 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -48.92 108.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 8.2 t -160.48 133.78 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.1 tt -154.73 136.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.2 p -91.17 -19.64 22.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.77 82.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 115.59 4.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.7 t 41.2 41.27 1.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.8 t -79.48 127.46 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 t -77.77 107.42 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -72.89 -45.04 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.61 -164.53 12.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -164.57 129.9 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -65.83 154.45 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.67 177.62 37.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.29 43.9 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.47 164.2 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -144.82 178.47 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 t -62.47 -30.93 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.18 -41.14 97.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.61 -45.76 67.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.39 -45.25 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -63.54 -44.93 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -42.73 99.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.57 -46.29 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.12 -40.92 91.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -62.82 -40.37 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -67.06 -39.57 86.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.455 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mm100 -66.31 -42.86 87.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.8 mt -65.04 -45.4 85.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.17 -45.96 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.39 -49.45 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.401 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 14.5 m -59.69 -30.64 68.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 113' ' ' VAL . 13.5 m-85 -93.44 3.89 54.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 t -66.82 156.01 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -45.43 92.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.02 -39.93 83.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.401 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -68.02 -39.63 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.18 -44.73 91.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -69.85 -38.1 76.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -76.39 -30.05 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -86.51 78.61 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -53.32 -36.48 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -62.05 -46.79 87.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.2 -40.25 89.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.04 -42.47 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -66.19 -31.57 72.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -83.89 -24.08 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.404 ' CG ' HG12 ' A' ' 82' ' ' ILE . 30.1 mtp -62.64 170.22 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -105.02 -176.42 3.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.3 m -65.54 -43.74 89.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 23.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.38 47.77 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -109.94 138.95 45.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.557 HD12 ' CE2' ' A' ' 61' ' ' PHE . 62.3 mt -118.6 137.46 24.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.476 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 138.59 38.07 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.66 -29.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.476 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.5 p-90 -63.13 -38.7 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -66.65 -45.02 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.96 -45.15 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.32 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -20.99 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtp -47.38 133.82 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.53 -48.69 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.06 -46.07 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.5 mm -60.39 -40.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -67.31 -38.89 85.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -65.63 -30.94 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 94.9 mt -85.74 -37.04 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 98' ' ' THR . 51.6 m -166.02 143.8 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.461 ' N ' HG22 ' A' ' 97' ' ' THR . 69.4 p -114.31 26.53 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -110.02 120.56 44.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -38.01 8.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.56 -42.35 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.41 HD21 ' CG2' ' A' ' 97' ' ' THR . 32.4 tp -63.05 -42.7 99.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.77 -45.88 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.466 ' CD2' HG13 ' A' ' 115' ' ' VAL . 35.0 mt -62.79 -36.33 82.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.14 -39.84 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.7 -46.26 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.447 ' CD2' HG21 ' A' ' 113' ' ' VAL . 32.4 mt -65.52 -47.36 76.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -68.27 -28.59 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.7 t -76.38 -23.49 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 113' ' ' VAL . 2.4 p -93.04 137.2 23.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -31.49 20.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 37.3 mtp -54.34 -34.54 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 61' ' ' PHE . 19.5 m -129.09 163.99 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.425 ' OE1' ' C ' ' A' ' 115' ' ' VAL . 1.3 tm0? -140.93 132.95 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 104' ' ' LEU . 45.3 t -100.62 119.14 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' VAL . 13.5 t70 -37.52 145.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -53.77 -20.0 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -88.53 -35.11 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.74 45.59 5.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -119.03 -30.91 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -145.47 144.85 30.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.439 HG23 ' N ' ' A' ' 123' ' ' ARG . 5.0 p -125.12 137.91 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' N ' HG23 ' A' ' 122' ' ' VAL . 5.2 ptm180 -125.85 144.65 49.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 123.13 9.78 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -74.89 87.8 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 126' ' ' HIS . 32.9 p-80 -89.42 42.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.53 128.6 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -66.21 132.02 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.55 174.25 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 131' ' ' SER . 15.1 tt -170.36 160.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 130' ' ' ILE . 3.8 m -126.83 141.42 51.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.31 79.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -43.18 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.731 2.288 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 62.4 p -40.04 118.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.8 m -65.57 167.21 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.86 -36.56 72.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.02 -44.68 79.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -64.98 -43.21 93.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.19 -44.98 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 53' ' ' LEU . 8.9 tp -60.18 -41.14 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -63.04 -40.31 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -67.01 -36.3 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.1 mm-40 -64.11 -49.78 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' A' ' 107' ' ' LEU . 98.6 mt -64.86 -44.35 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -64.59 -45.77 85.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 13.5 t80 -67.72 -42.01 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 m -62.71 -31.83 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD2' HG12 ' A' ' 113' ' ' VAL . 12.2 m-85 -93.85 0.49 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -60.24 157.12 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.53 -45.59 93.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.54 -43.75 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 5.3 t-20 -65.41 -39.03 91.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.68 ' O ' HD11 ' A' ' 73' ' ' ILE . 34.9 mt -63.41 -44.78 93.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 31.0 t -77.41 -16.66 58.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -90.29 -30.11 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -91.69 85.37 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.68 -32.81 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.96 -45.77 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.11 -44.59 87.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 66' ' ' LEU . 44.3 mt -64.77 -38.6 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -68.13 -27.14 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -83.87 -26.5 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.471 ' HE3' HD11 ' A' ' 82' ' ' ILE . 13.7 mtt -47.88 172.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.9 t0 -105.12 -175.49 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 -38.31 84.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -92.6 33.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 54.02 49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.1 m-85 -121.42 137.31 54.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 83' ' ' PRO . 47.7 mt -107.45 138.11 19.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.0 Cg_endo -69.78 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.805 HD13 HD21 ' A' ' 104' ' ' LEU . 44.9 mt -60.85 -31.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.9 p-90 -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.423 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 3.6 m -62.09 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 57' ' ' LEU . 95.4 t -72.03 -40.34 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -18.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.01 -14.71 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 mtt -53.34 136.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.96 -51.34 70.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.29 -42.18 90.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.26 -31.24 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -73.35 -40.09 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -73.1 -29.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 82.8 mt -83.53 -34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 99' ' ' ASP . 30.7 m -155.52 138.58 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -118.06 16.42 14.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.71 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -115.27 130.69 24.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -40.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 106' ' ' VAL . 21.4 tp -64.85 -46.6 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.22 -46.2 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.805 HD21 HD13 ' A' ' 84' ' ' ILE . 30.3 mt -58.34 -40.69 82.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.9 tt0 -63.82 -41.34 97.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 102' ' ' LEU . 78.8 t -62.56 -44.15 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.3 mt -66.01 -48.87 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.49 -24.57 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 16.9 m -76.42 -27.43 56.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -95.66 141.4 23.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PRO . 46.8 mtp -36.25 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD23 ' A' ' 107' ' ' LEU . 33.5 m -127.96 161.18 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.3 tt0 -144.03 125.3 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.411 HG12 ' HA2' ' A' ' 119' ' ' GLY . 39.7 t -100.06 127.73 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.8 t70 -44.99 134.86 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ASP . 36.4 mt-10 -35.69 -44.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -68.82 -46.9 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 102.58 61.58 0.72 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -130.22 -32.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -139.81 146.68 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.8 p -130.26 139.79 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.9 ptt180 -131.2 144.6 54.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 115.26 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.19 -43.06 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.06 -46.05 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.86 -39.12 87.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.1 m -67.73 -50.17 58.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD23 HG21 ' A' ' 106' ' ' VAL . 8.3 tp -60.06 -40.28 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -62.6 -41.96 99.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.933 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -67.17 -35.04 78.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.561 HE21 HD11 ' A' ' 96' ' ' LEU . 25.8 mm-40 -65.5 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.809 HD22 HD21 ' A' ' 107' ' ' LEU . 63.8 mt -64.08 -45.79 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.34 -45.91 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.498 ' CE2' ' ND2' ' A' ' 65' ' ' ASN . 64.7 t80 -66.9 -39.48 87.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.8 -33.35 75.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.9 m-85 -89.98 1.22 56.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 t -61.33 154.21 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -61.22 -45.84 92.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -70.43 -41.73 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.498 ' ND2' ' CE2' ' A' ' 59' ' ' PHE . 18.1 t-20 -63.84 -42.54 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 72' ' ' LEU . 55.7 mt -64.49 -45.47 87.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -62.72 -34.18 76.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -82.54 -27.89 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.67 85.29 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.61 -32.61 71.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.06 -46.54 74.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 66' ' ' LEU . 12.5 tp -60.28 -41.97 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -66.86 -35.84 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -69.25 -29.69 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -84.78 -25.6 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.872 ' HE1' HD13 ' A' ' 66' ' ' LEU . 26.2 mtt -47.5 171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.17 -175.12 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.9 m -63.78 -39.29 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 30.06 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 56.72 44.19 24.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 123' ' ' ARG . 22.8 m-85 -111.45 138.75 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 61' ' ' PHE . 25.6 mt -113.4 136.64 21.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.2 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' ' 104' ' ' LEU . 65.5 mt -65.84 -30.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.473 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 6.5 m -64.18 -43.17 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.0 t -72.02 -36.62 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.93 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -83.98 -22.03 31.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.426 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.3 mtt -46.56 134.97 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.59 -51.33 70.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.89 -44.41 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.426 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -62.56 -35.89 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 98' ' ' THR . 43.9 mtpt -70.2 -45.9 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.34 -28.02 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.561 HD11 HE21 ' A' ' 56' ' ' GLN . 86.1 mt -91.47 -33.23 15.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.641 HG23 HD23 ' A' ' 102' ' ' LEU . 16.1 m -156.02 131.87 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 94' ' ' LYS . 54.2 p -123.72 41.21 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -137.63 137.13 21.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.92 -38.18 87.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.641 HD23 HG23 ' A' ' 97' ' ' THR . 15.9 tp -63.46 -47.64 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.56 -48.7 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.461 HD21 HD13 ' A' ' 84' ' ' ILE . 22.3 mt -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.46 -41.25 96.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 95.4 t -64.85 -46.6 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.809 HD21 HD22 ' A' ' 57' ' ' LEU . 39.8 mt -61.11 -49.02 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 115' ' ' VAL . 58.6 mtt180 -70.14 -22.33 63.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -79.49 -28.06 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -94.09 134.41 25.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.68 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.778 2.319 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.7 mtp -39.43 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' PRO . 11.6 m -128.44 160.28 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -144.07 129.43 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 108' ' ' ARG . 18.3 t -98.41 132.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.73 158.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.79 -28.56 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -77.76 -45.6 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.36 53.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.01 -34.36 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -136.89 150.67 48.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.561 HG21 HD22 ' A' ' 107' ' ' LEU . 7.8 p -127.31 140.28 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 81' ' ' PHE . 8.2 ptm180 -128.08 146.86 60.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 106.76 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.759 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 -46.53 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.77 -44.64 95.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.25 -44.25 92.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.51 -40.23 90.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.98 -49.88 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.784 HD23 HG21 ' A' ' 106' ' ' VAL . 13.3 tp -59.91 -41.18 91.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -62.92 -40.82 98.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.8 mm100 -67.53 -48.73 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' HG ' ' A' ' 107' ' ' LEU . 96.9 mt -65.02 -43.98 90.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -45.62 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.35 -39.22 78.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 m -66.61 -30.25 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -90.29 -0.17 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.1 p -65.95 157.38 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.12 -36.73 80.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.87 -43.87 74.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 4.2 t30 -71.61 -36.67 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.83 ' O ' HD11 ' A' ' 73' ' ' ILE . 67.8 mt -64.26 -38.88 92.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -79.89 -27.24 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -89.46 -13.67 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 34.8 t0 -102.18 79.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.7 -33.42 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -64.36 -46.96 81.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD23 HD23 ' A' ' 66' ' ' LEU . 12.2 tp -59.81 -44.09 94.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.978 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.83 HD11 ' O ' ' A' ' 66' ' ' LEU . 65.3 mt -65.54 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.79 -30.35 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.16 -26.96 32.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 82' ' ' ILE . 19.8 mtt -52.56 160.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 20.3 p30 -105.85 176.9 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -56.84 -26.99 59.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 2.1 m-20 -91.21 26.09 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 45.04 27.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 10.8 m-85 -104.39 137.75 41.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 83' ' ' PRO . 72.0 mt -103.53 138.54 19.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 82' ' ' ILE . 52.6 Cg_endo -69.87 135.9 31.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 104' ' ' LEU . 49.2 mt -62.87 -32.62 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.549 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -60.08 -37.96 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -65.18 -44.9 86.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.27 -45.09 97.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -21.9 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.69 -17.21 42.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.2 mtt -50.06 135.51 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -57.67 -49.87 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.69 -46.0 87.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -60.88 -35.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -69.71 -40.37 76.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -66.95 -29.77 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mt -88.1 -36.93 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 99' ' ' ASP . 37.7 m -158.24 131.69 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.99 28.78 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.617 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -120.28 133.4 23.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.82 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.576 HD23 ' CG2' ' A' ' 97' ' ' THR . 25.7 tp -63.84 -45.68 88.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.58 -43.62 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 84' ' ' ILE . 33.0 mt -61.53 -35.93 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.994 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 HD23 ' A' ' 53' ' ' LEU . 90.0 t -60.38 -44.28 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.737 HD23 HG21 ' A' ' 113' ' ' VAL . 27.1 mt -65.95 -48.03 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -71.25 -21.54 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.7 t -85.81 -21.55 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.418 ' HB3' HG22 ' A' ' 113' ' ' VAL . 2.9 t -96.31 134.53 23.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.738 . . . . 0.0 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.87 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 mtp -39.92 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 HD23 ' A' ' 107' ' ' LEU . 18.6 m -128.64 157.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -145.04 124.54 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.517 HG12 ' HA2' ' A' ' 119' ' ' GLY . 16.2 t -96.07 134.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -42.01 143.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -43.24 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -72.05 -44.6 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.517 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.51 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -118.98 -29.29 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -140.17 149.42 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.581 HG21 HD22 ' A' ' 107' ' ' LEU . 4.8 p -130.3 144.38 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 9.0 ptm180 -138.52 146.11 49.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.73 2.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 -179.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -33.33 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.61 -46.21 59.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.96 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.52 -42.94 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.49 -47.74 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.405 HD11 HD11 ' A' ' 57' ' ' LEU . 11.3 tp -60.01 -39.76 86.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.21 -42.52 99.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -66.99 -35.22 79.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 34.3 mm-40 -67.41 -48.56 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.965 HD13 ' HG ' ' A' ' 107' ' ' LEU . 86.5 mt -64.7 -44.38 90.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.56 -45.84 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 65.4 t80 -65.98 -47.66 73.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 50.6 m -57.49 -39.19 75.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.86 0.85 45.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -61.16 153.67 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 5.5 mmm180 -58.31 -45.74 87.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -70.89 -43.83 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 17.6 t-20 -62.45 -38.8 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 73' ' ' ILE . 29.5 mt -66.61 -45.39 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -66.6 -25.27 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -90.82 -27.93 18.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -89.5 76.58 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.8 -31.39 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.53 -46.74 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.91 -42.47 98.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.859 HD11 ' O ' ' A' ' 66' ' ' LEU . 53.6 mt -65.86 -37.8 80.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -69.85 -27.96 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -82.12 -26.82 33.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.9 mtt -47.74 174.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -107.73 -175.95 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -64.64 -40.06 94.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.73 33.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.32 43.31 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ASP . 11.6 m-85 -116.1 139.26 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 83' ' ' PRO . 53.5 mt -109.97 137.36 20.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.674 0.749 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.1 Cg_endo -69.73 136.53 33.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.946 HD13 HD21 ' A' ' 104' ' ' LEU . 63.4 mt -63.16 -31.95 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.526 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.1 p-90 -60.8 -40.46 92.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 7.9 m -62.6 -43.81 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.95 -36.85 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.81 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -84.88 -13.24 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.6 mtt -57.3 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.12 77.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 56' ' ' GLN . 16.2 pt-20 -63.86 -44.76 92.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.1 mm -67.69 -32.98 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -73.71 -41.13 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -71.36 -25.31 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 81.0 mt -94.48 -28.38 15.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.725 HG23 HD23 ' A' ' 102' ' ' LEU . 30.8 m -156.75 133.73 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 p -117.03 34.91 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.633 ' H ' HG22 ' A' ' 97' ' ' THR . 1.9 t70 -136.28 134.91 20.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.807 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -43.2 2.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.554 2.169 . . . . 0.0 112.385 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.62 -41.06 98.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.725 HD23 HG23 ' A' ' 97' ' ' THR . 22.2 tp -63.21 -46.76 85.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.15 -51.05 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.946 HD21 HD13 ' A' ' 84' ' ' ILE . 69.7 mt -58.9 -39.71 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.87 -44.7 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 102' ' ' LEU . 61.9 t -61.7 -53.24 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.965 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.7 mt -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.62 -29.99 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.9 t -75.85 -22.89 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.9 t -91.91 137.5 25.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.714 0.769 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.74 -46.92 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.6 mtp -39.91 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 107' ' ' LEU . 29.5 m -137.68 166.72 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -140.76 132.81 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 104' ' ' LEU . 59.1 t -108.0 120.61 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.5 t70 -39.88 134.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 30.2 mm-40 -37.93 -47.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.01 -50.06 74.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.67 47.82 1.74 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.85 -35.05 5.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.46 153.59 48.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 107' ' ' LEU . 3.7 p -132.94 144.68 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HD3' ' CE2' ' A' ' 81' ' ' PHE . 13.3 ptt85 -145.56 149.35 40.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.693 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 152.01 69.56 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.872 0.367 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.9 -33.86 74.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.86 -45.74 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -63.62 -44.94 92.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.09 -44.98 94.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 74.5 m -59.88 -42.28 93.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD23 HG21 ' A' ' 106' ' ' VAL . 10.3 tp -59.92 -42.99 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -62.56 -38.99 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 52' ' ' CYS . 7.7 mtmp? -66.9 -38.37 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 39.5 mm-40 -70.12 -42.96 71.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.877 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.8 mt -64.99 -43.56 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.77 -45.6 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 4.6 t80 -70.39 -37.06 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.472 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 17.0 m -68.03 -31.04 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -94.99 3.83 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 153.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.74 -43.65 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 4.3 t30 -63.65 -42.98 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 72' ' ' LEU . 62.0 mt -62.35 -44.94 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 73' ' ' ILE . 10.0 t -65.86 -34.6 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -33.97 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.09 77.99 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -53.25 -32.0 46.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -66.43 -46.84 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 66' ' ' LEU . 13.2 tp -59.71 -41.65 91.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 67' ' ' SER . 9.4 mt -65.05 -38.59 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -68.69 -28.42 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.01 -24.88 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 mtt -48.37 177.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -112.6 -176.43 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.9 m -64.55 -42.94 95.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -88.98 31.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 56.17 48.22 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 23.9 m-85 -118.41 137.36 53.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.492 HG23 ' HD2' ' A' ' 83' ' ' PRO . 17.2 mt -106.59 136.57 19.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.631 0.729 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.594 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.7 Cg_endo -69.76 135.91 31.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 0.0 112.421 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 104' ' ' LEU . 46.6 mt -65.27 -33.58 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.4 p-90 -58.97 -36.98 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.6 m -63.9 -42.72 97.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.05 -34.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.61 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 1.4 p30 -81.82 -26.37 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 10.2 mtt -40.08 132.58 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.22 -50.3 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.45 -37.53 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.488 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 44.0 mm -72.54 -33.16 44.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CD ' ' O ' ' A' ' 89' ' ' ASN . 37.0 mtpt -73.29 -41.74 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -71.78 -29.61 64.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 85.7 mt -89.08 -34.25 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.692 HG23 HD23 ' A' ' 102' ' ' LEU . 21.4 m -145.02 132.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.1 p -120.09 39.81 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 97' ' ' THR . 2.2 t70 -148.44 138.26 12.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.521 0.677 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -44.69 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.593 2.196 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.18 -39.13 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.692 HD23 HG23 ' A' ' 97' ' ' THR . 20.7 tp -62.91 -47.15 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.502 HG13 HG21 ' A' ' 97' ' ' THR . 70.9 mt -62.79 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 84' ' ' ILE . 22.7 mt -63.03 -35.95 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.93 -44.32 89.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.66 HG21 HD23 ' A' ' 53' ' ' LEU . 71.9 t -61.45 -48.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.877 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.0 mt -65.94 -44.01 86.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -72.01 -23.95 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 t -81.9 -23.59 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -94.16 132.27 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -40.88 4.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.8 mtp -42.02 -27.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 107' ' ' LEU . 19.3 m -133.29 165.33 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.541 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.8 tp-100 -134.7 131.62 37.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 122' ' ' VAL . 91.2 t -94.93 123.35 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 17.6 t70 -38.42 140.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.13 -69.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -51.18 -44.32 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 105.74 40.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -112.85 -27.49 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 28.3 mtmt -138.16 154.57 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 115' ' ' VAL . 73.5 t -135.51 140.48 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 17.0 ptt180 -135.07 143.82 47.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.05 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.4 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 10.2 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.5 m-20 -71.89 -34.94 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.05 -41.31 61.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.95 -40.66 95.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 26.3 pt-20 -68.99 -44.81 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' HD22 ' A' ' 96' ' ' LEU . 9.5 p -62.24 -46.8 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 57' ' ' LEU . 11.1 tp -65.56 -40.73 93.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HA ' HG11 ' A' ' 106' ' ' VAL . 13.6 ttmm -62.89 -38.92 92.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -67.11 -39.03 86.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.444 HE21 HD11 ' A' ' 96' ' ' LEU . 22.5 mm-40 -67.38 -46.86 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.7 mt -65.07 -45.86 83.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' CD ' ' HG2' ' A' ' 54' ' ' LYS . 83.3 mt-10 -66.9 -45.84 76.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -67.24 -39.86 86.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 m -62.77 -38.23 89.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 82' ' ' ILE . 11.7 m-85 -85.97 5.03 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -68.15 156.24 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -59.81 -43.53 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -67.75 -42.92 81.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -66.81 -39.1 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 72' ' ' LEU . 50.8 mt -62.62 -43.96 97.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 73' ' ' ILE . 42.5 t -82.74 -23.12 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -18.07 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -103.44 83.88 2.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -55.5 -34.81 64.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -62.86 -46.92 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -60.54 -41.69 95.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 ' O ' ' A' ' 66' ' ' LEU . 83.3 mt -63.98 -37.21 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.5 t -69.72 -30.87 68.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -83.09 -23.29 33.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.453 ' CG ' HG12 ' A' ' 82' ' ' ILE . 36.0 mtp -69.44 150.6 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.52 175.3 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -58.44 -28.02 64.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -82.39 8.61 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 58.1 33.42 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.8 m-85 -110.39 141.18 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 61' ' ' PHE . 40.4 mt -113.3 136.78 21.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.5 Cg_endo -69.83 134.72 28.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.861 HD13 HD21 ' A' ' 104' ' ' LEU . 73.4 mt -59.45 -31.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.58 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.37 -43.34 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.529 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 9.0 m -63.46 -42.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.55 -45.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -16.99 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -15.49 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.6 mtt -54.27 135.94 43.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.15 -46.64 82.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.02 -44.59 88.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.93 -31.45 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.87 -41.88 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.87 -26.48 61.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.635 HD22 ' SG ' ' A' ' 52' ' ' CYS . 28.4 mt -88.4 -36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 99' ' ' ASP . 16.6 m -149.62 134.6 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -116.0 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 97' ' ' THR . 1.5 t70 -140.1 127.9 12.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.502 0.668 . . . . 0.0 110.95 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -39.93 5.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -62.0 -44.06 97.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 106' ' ' VAL . 26.6 tp -63.31 -46.46 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.439 ' HA ' HD21 ' A' ' 53' ' ' LEU . 52.4 mt -61.74 -44.62 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 84' ' ' ILE . 25.8 mt -62.83 -37.31 86.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 109' ' ' SER . 34.8 tt0 -64.18 -41.81 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 87.7 t -63.55 -44.91 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.3 mt -65.95 -48.91 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -31.73 70.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 30.9 m -71.93 -23.87 61.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -98.86 138.92 20.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.5 Cg_endo -69.74 -50.85 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' PRO . 34.0 mtp -34.9 -32.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' LEU . 30.9 m -128.1 154.24 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -131.17 132.99 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.42 125.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.7 t0 -39.95 128.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' ASP . 11.4 pt-20 -34.48 -48.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -64.37 -48.28 76.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 105.88 56.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -127.48 -32.66 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -138.71 150.75 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 107' ' ' LEU . 1.6 p -126.98 138.42 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 22.4 ptt85 -132.81 145.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.79 10.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.64 -41.24 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.82 -43.49 83.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -63.66 -45.0 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.75 -43.69 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.84 -42.71 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 53' ' ' LEU . 6.2 tp -60.08 -42.67 95.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -62.96 -39.14 93.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -67.03 -35.22 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.2 mm-40 -67.21 -47.24 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD22 HD21 ' A' ' 107' ' ' LEU . 48.6 mt -64.99 -44.2 90.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.61 -45.19 79.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 m -67.23 -32.16 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.1 m-85 -91.36 3.34 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -61.81 156.66 19.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -61.75 -45.68 92.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.2 -41.08 74.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.23 -38.26 84.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 72' ' ' LEU . 36.6 mt -66.92 -43.08 84.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 t -72.16 -25.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -90.1 -26.06 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -86.62 76.53 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.26 -31.15 52.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.85 -46.5 74.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 66' ' ' LEU . 15.7 tp -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.461 HD11 ' O ' ' A' ' 66' ' ' LEU . 8.0 mt -63.05 -41.98 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -65.33 -29.77 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -82.37 -24.23 34.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' HG12 ' A' ' 82' ' ' ILE . 23.4 mtp -70.15 151.01 45.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -90.08 -176.08 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -63.94 -36.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -78.46 8.13 5.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 63.39 45.41 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 14.1 m-85 -116.13 136.94 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 83' ' ' PRO . 23.7 mt -104.88 136.88 19.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.84 134.29 27.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.302 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' A' ' 104' ' ' LEU . 96.5 mt -60.75 -30.08 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.7 p-90 -62.08 -45.07 95.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 37.9 m -63.21 -43.98 96.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.23 -44.97 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.67 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.44 -11.45 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.9 mtp -54.71 140.05 37.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.42 -49.76 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.68 -45.93 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.2 mm -62.73 -39.19 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.49 -43.91 79.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.59 -31.92 72.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 71.2 mt -85.57 -36.97 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.937 HG21 HD23 ' A' ' 102' ' ' LEU . 62.8 m -164.02 145.7 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.2 p -118.51 15.53 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.857 ' H ' HG22 ' A' ' 97' ' ' THR . 13.5 t0 -96.67 124.11 51.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -45.12 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 102' ' ' LEU . 2.7 p30 -62.02 -39.55 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.937 HD23 HG21 ' A' ' 97' ' ' THR . 28.1 tp -64.81 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.58 -47.99 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 84' ' ' ILE . 25.5 mt -59.89 -36.92 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.07 -38.68 88.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.517 ' CG1' HD12 ' A' ' 57' ' ' LEU . 37.4 t -67.22 -45.5 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 57' ' ' LEU . 35.4 mt -65.98 -49.17 68.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -65.62 -28.17 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -75.83 -24.11 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' VAL . 7.8 t -97.6 139.11 21.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.79 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.5 mtp -41.46 -25.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 107' ' ' LEU . 10.8 m -131.95 151.16 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.71 129.9 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.05 128.28 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -43.57 139.43 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -39.05 -48.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -68.55 -45.28 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 44.68 1.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -109.79 -24.74 10.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -144.17 152.89 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.0 p -130.44 138.67 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 7.1 ptm180 -140.5 146.61 45.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.41 14.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.802 -179.772 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.907 0.384 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -65.9 -45.79 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.98 -45.81 87.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.48 -44.73 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.82 -44.35 94.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.99 -41.93 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -61.07 -41.35 96.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -67.11 -35.2 79.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.8 mm-40 -66.51 -47.35 73.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.632 HD12 ' CG1' ' A' ' 106' ' ' VAL . 40.9 mt -64.88 -46.09 83.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.03 -45.92 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 62.7 t80 -66.47 -41.96 88.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.6 m -65.42 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 82' ' ' ILE . 8.0 m-85 -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -61.54 155.52 21.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -60.0 -45.14 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.58 -43.05 73.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 13.9 t-20 -62.73 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 72' ' ' LEU . 54.4 mt -63.5 -42.49 98.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' HD11 ' A' ' 73' ' ' ILE . 24.4 t -69.35 -33.09 72.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -80.56 -29.5 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -86.82 82.65 7.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.02 -34.22 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -64.36 -46.1 84.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 67' ' ' SER . 65.4 mt -66.44 -40.83 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -69.79 -28.21 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -82.44 -23.95 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 66' ' ' LEU . 21.5 mtt -51.2 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -129.48 -177.94 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -55.66 -49.99 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 11.0 t0 -84.41 23.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 61.27 42.25 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.0 m-85 -101.12 137.71 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 11.1 mt -110.9 136.27 20.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.588 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.3 Cg_endo -69.73 133.93 26.8 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.129 HD13 HD21 ' A' ' 104' ' ' LEU . 70.1 mt -65.22 -31.23 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.6 p-90 -62.23 -36.78 83.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.47 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -63.2 -45.0 93.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.08 -34.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.9 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.47 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 0.8 OUTLIER -86.59 -24.8 25.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.6 mtt -34.95 136.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.18 -52.13 66.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HZ2' ' A' ' 95' ' ' LYS . 31.8 mt-10 -58.58 -45.99 87.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 37.7 mm -57.43 -39.95 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -68.21 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HZ2' ' HA ' ' A' ' 92' ' ' GLU . 8.4 mtmp? -70.51 -33.05 70.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.6 mt -86.91 -36.71 18.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.926 HG21 HD23 ' A' ' 102' ' ' LEU . 87.5 m -165.73 144.5 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 p -115.54 19.11 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.917 ' H ' HG22 ' A' ' 97' ' ' THR . 7.9 t0 -104.63 124.06 38.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.536 0.684 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -38.05 8.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.13 -43.51 95.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.926 HD23 HG21 ' A' ' 97' ' ' THR . 37.6 tp -63.75 -43.83 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.88 -48.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.129 HD21 HD13 ' A' ' 84' ' ' ILE . 26.2 mt -60.63 -37.57 81.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.17 -39.68 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.632 ' CG1' HD12 ' A' ' 57' ' ' LEU . 77.9 t -65.9 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 113' ' ' VAL . 33.1 mt -65.19 -46.66 79.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -70.51 -25.49 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.1 m -72.02 -28.03 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 141.79 23.25 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.66 -47.72 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . 9.3 mtp -35.64 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 107' ' ' LEU . 11.6 m -128.76 147.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 122' ' ' VAL . 56.0 tp60 -131.69 129.7 41.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.33 132.77 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.45 144.07 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.93 -49.47 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -59.21 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.71 45.21 1.98 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -120.51 -22.23 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -144.1 144.07 31.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.69 140.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 2.2 ptp85 -127.34 144.9 52.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 106.09 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.836 0.35 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.08 -35.44 76.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.46 -39.05 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -65.01 -45.1 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 13.3 pt-20 -65.16 -40.65 94.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 5.8 m -61.69 -47.33 85.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 57' ' ' LEU . 9.6 tp -60.06 -41.02 91.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -59.19 -44.64 92.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -67.03 -35.56 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.1 mm100 -66.05 -48.69 70.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.942 HD13 ' HG ' ' A' ' 107' ' ' LEU . 72.9 mt -64.99 -45.03 87.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.66 -43.5 84.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 45.3 t80 -67.35 -46.74 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.9 m -61.32 -31.65 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' A' ' 82' ' ' ILE . 14.0 m-85 -93.57 1.06 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -62.77 155.68 25.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -60.62 -44.76 95.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.2 -43.11 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 9.3 t-20 -66.33 -37.64 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.825 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.735 ' O ' HD11 ' A' ' 73' ' ' ILE . 40.0 mt -64.47 -45.17 88.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -67.88 -30.74 70.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -80.39 -35.83 34.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.8 t0 -81.39 81.6 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.12 -36.31 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.07 -46.99 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 66' ' ' LEU . 14.4 tp -58.49 -42.55 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 66' ' ' LEU . 79.0 mt -67.18 -35.28 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -69.32 -29.07 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -83.73 -26.97 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.4 mtt -43.56 164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -101.93 -176.52 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -65.27 -38.26 89.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.13 24.31 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 61.2 43.61 10.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.3 m-85 -112.68 143.18 44.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.666 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.5 mt -114.54 136.22 22.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.547 0.689 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.79 132.0 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.615 HD13 HD21 ' A' ' 104' ' ' LEU . 35.1 mt -62.68 -32.94 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -59.58 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.498 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -60.8 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.4 t -77.3 -34.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.76 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.016 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -78.79 -26.23 44.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.6 mtt -42.36 131.07 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.1 -45.8 86.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -62.09 -41.8 98.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 47.3 mm -67.1 -33.92 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -72.79 -46.82 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 52.9 mt -84.03 -34.33 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' H ' ' A' ' 99' ' ' ASP . 32.4 m -162.82 143.04 9.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.4 p -120.27 20.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.804 ' H ' HG22 ' A' ' 97' ' ' THR . 2.8 t70 -116.4 126.53 27.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 0.0 110.944 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.36 11.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.61 -44.12 91.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD23 HG21 ' A' ' 97' ' ' THR . 30.0 tp -64.22 -44.48 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.26 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 84' ' ' ILE . 25.1 mt -59.86 -39.26 84.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.0 tp10 -62.17 -44.0 97.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.0 t -61.86 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 57' ' ' LEU . 29.2 mt -62.56 -48.4 79.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -68.57 -25.52 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 38.7 t -81.48 -18.72 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t -97.76 139.69 21.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.2 Cg_endo -69.84 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . 52.0 mtp -34.23 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' A' ' 107' ' ' LEU . 33.3 m -130.36 167.47 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -145.16 129.77 18.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.495 HG11 HD22 ' A' ' 104' ' ' LEU . 49.0 t -94.93 129.01 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' GLU . 35.6 t0 -49.54 139.08 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' ASP . 34.9 tt0 -35.09 -51.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -62.72 -47.89 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.45 59.26 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.547 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -124.89 -36.4 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -137.22 149.43 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 p -127.42 144.22 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.534 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.5 ptt180 -134.42 146.49 59.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.96 4.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' MET . 91.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.78 -42.43 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.799 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.45 -45.97 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -63.09 -41.63 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.57 -40.01 95.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.4 t -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.687 HD23 HG21 ' A' ' 106' ' ' VAL . 14.2 tp -59.74 -38.35 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.59 -48.26 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 56' ' ' GLN . 8.8 pttp -67.61 -34.52 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.1 mm-40 -66.72 -46.31 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.6 mt -65.03 -45.5 85.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -65.92 -41.66 91.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -68.22 -37.55 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 t -64.77 -40.65 95.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 82' ' ' ILE . 7.6 m-85 -83.64 2.69 36.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.8 t -62.84 149.59 43.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -56.52 -44.24 80.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.7 -42.28 77.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -62.89 -44.22 96.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 72' ' ' LEU . 91.8 mt -61.29 -45.54 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -66.86 -32.17 73.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -85.11 -17.97 35.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -101.51 75.53 1.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.38 -28.93 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -68.66 -47.0 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 66' ' ' LEU . 15.8 tp -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 66' ' ' LEU . 71.9 mt -66.68 -38.61 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -69.6 -28.52 66.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -82.49 -26.32 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.492 ' HE3' HD11 ' A' ' 82' ' ' ILE . 17.6 mtt -45.59 170.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . 21.0 t70 -106.79 166.57 10.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -51.96 -27.41 13.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.5 31.11 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 54.01 30.95 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 9.6 m-85 -102.06 137.36 40.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 83' ' ' PRO . 28.7 mt -110.14 136.89 20.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.548 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.4 Cg_endo -69.72 133.65 26.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.616 HD13 HD21 ' A' ' 104' ' ' LEU . 45.2 mt -64.98 -27.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.548 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 3.1 p-90 -64.76 -32.0 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -68.91 -41.69 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 57' ' ' LEU . 47.2 t -76.96 -36.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.05 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -79.82 -19.22 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.8 mtt -47.65 143.0 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -64.04 -51.95 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 25.0 pm0 -62.22 -30.6 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 19.9 mm -73.86 -37.56 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -67.68 -39.41 84.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.9 -32.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 92.8 mt -85.04 -28.18 25.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.761 HG23 HD23 ' A' ' 102' ' ' LEU . 40.3 m -154.84 135.34 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -126.95 40.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -146.6 137.45 12.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -45.19 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.35 -39.61 93.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.761 HD23 HG23 ' A' ' 97' ' ' THR . 26.9 tp -62.95 -47.23 84.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.35 -48.02 89.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 84' ' ' ILE . 27.1 mt -57.25 -38.05 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.82 -43.58 88.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.687 HG21 HD23 ' A' ' 53' ' ' LEU . 77.7 t -62.72 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.841 HD23 HG21 ' A' ' 113' ' ' VAL . 21.4 mt -63.62 -47.91 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -67.86 -29.44 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -74.57 -28.13 60.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -94.14 133.31 27.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -44.27 2.23 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -45.03 -22.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.841 HG21 HD23 ' A' ' 107' ' ' LEU . 35.9 m -133.75 142.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -129.67 126.95 39.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.435 HG12 ' HA2' ' A' ' 119' ' ' GLY . 15.4 t -96.1 132.61 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 119' ' ' GLY . 28.1 t70 -53.18 136.14 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' ASP . 35.2 tt0 -34.19 -46.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -59.99 -46.35 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 94.94 45.93 2.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -120.82 -30.22 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.972 0.415 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -137.33 154.98 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 107' ' ' LEU . 2.5 p -135.84 145.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.498 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.2 ptp180 -131.09 151.16 78.44 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 116.2 4.46 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.84 -42.85 73.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.71 -44.76 95.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -62.35 -45.0 95.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.71 -41.57 98.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -60.92 -47.32 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD22 ' OG1' ' A' ' 97' ' ' THR . 9.0 tp -60.04 -39.3 85.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.14 -42.84 99.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -67.02 -35.04 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.8 mm-40 -65.59 -47.86 74.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 82.2 mt -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -66.96 -43.05 84.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -69.89 -43.77 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.56 -30.23 70.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.3 m-85 -89.99 2.1 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -64.91 155.17 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -71.01 -41.12 71.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.53 -38.46 84.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 72' ' ' LEU . 42.9 mt -66.01 -44.6 84.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -66.46 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -83.33 -22.08 32.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.436 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.5 t0 -91.77 76.06 5.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -54.85 -36.38 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -62.41 -46.43 88.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 66' ' ' LEU . 15.6 tp -60.73 -38.61 85.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.94 -38.57 81.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -70.07 -28.96 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -83.01 -24.28 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 66' ' ' LEU . 20.7 mtt -50.93 172.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -111.23 179.52 4.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 p -58.87 -41.02 86.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.96 37.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 50.46 35.42 11.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 7.1 m-85 -99.3 139.97 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.53 HD12 ' CE2' ' A' ' 61' ' ' PHE . 10.9 mt -111.92 136.24 21.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.586 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.8 Cg_endo -69.71 128.94 16.8 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.664 HD13 HD21 ' A' ' 104' ' ' LEU . 55.1 mt -58.98 -32.12 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.6 p-90 -59.03 -43.4 91.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.481 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 19.0 m -62.13 -37.09 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 57' ' ' LEU . 92.7 t -73.3 -45.07 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -15.7 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.86 -15.23 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.79 134.89 51.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.87 -52.03 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.06 -39.45 89.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.4 mm -69.78 -34.4 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 98' ' ' THR . 37.3 mtpt -73.63 -41.34 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -71.74 -26.19 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.6 mt -95.29 -30.03 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.912 HG23 HD23 ' A' ' 102' ' ' LEU . 51.3 m -150.38 119.85 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 94' ' ' LYS . 33.6 p -110.88 36.33 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.442 ' H ' HG22 ' A' ' 97' ' ' THR . 5.8 t70 -137.36 134.42 18.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.96 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.02 -38.62 91.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.912 HD23 HG23 ' A' ' 97' ' ' THR . 27.4 tp -62.85 -47.37 83.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.3 -43.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.664 HD21 HD13 ' A' ' 84' ' ' ILE . 33.1 mt -60.7 -38.92 86.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.88 -44.94 91.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.482 HG21 HD23 ' A' ' 53' ' ' LEU . 61.9 t -61.88 -45.61 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 113' ' ' VAL . 35.2 mt -63.14 -48.95 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -69.43 -20.58 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -86.36 -23.89 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.635 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.2 m -79.5 126.61 80.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.69 36.2 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.0 mtp -87.65 -18.31 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 107' ' ' LEU . 32.8 m -130.12 152.1 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.62 129.09 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.6 t -98.5 123.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -40.57 140.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -42.7 -52.86 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -60.38 -42.84 96.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.12 57.93 1.05 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -126.74 -30.01 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -142.73 154.65 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.477 HG21 HD22 ' A' ' 107' ' ' LEU . 2.3 p -133.17 144.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.1 ptp180 -134.06 144.68 52.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.34 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -69.43 -29.89 67.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -72.32 -43.41 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.82 -45.06 91.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.71 -48.02 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 12.9 tp -59.92 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -62.06 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.0 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 35.2 mm-40 -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.782 HD13 ' HG ' ' A' ' 107' ' ' LEU . 38.0 mt -64.36 -43.06 95.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -66.47 -45.97 77.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 6.1 t80 -67.4 -41.23 85.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -94.34 5.92 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.9 m -66.55 160.48 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -68.61 -42.51 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 15.7 t-20 -68.28 -35.1 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 72' ' ' LEU . 34.7 mt -66.44 -45.06 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -69.55 -30.71 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -81.8 -33.64 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.36 85.28 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.79 -35.56 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -63.97 -47.01 82.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -59.43 -45.68 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 66' ' ' LEU . 62.2 mt -65.14 -33.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -30.95 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -81.99 -26.63 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.8 mtt -43.41 166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -113.28 170.32 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -49.9 -25.25 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -109.26 51.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 33.07 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 79' ' ' ASP . 8.1 m-85 -102.88 138.94 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 83' ' ' PRO . 24.4 mt -117.46 136.79 23.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.9 Cg_endo -69.74 125.97 12.78 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -58.25 -32.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.01 -36.98 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -63.32 -39.27 94.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.3 t -75.98 -36.9 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.96 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -86.06 -14.18 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 11.6 mtt -53.05 136.65 34.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.06 -44.17 94.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.5 -40.75 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.401 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 33.7 mm -71.45 -29.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -73.22 -40.77 64.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -73.36 -29.93 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 70.7 mt -87.97 -32.16 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.792 HG23 HD23 ' A' ' 102' ' ' LEU . 52.3 m -147.19 137.4 23.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.2 p -124.32 31.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 97' ' ' THR . 4.8 t70 -134.59 135.84 24.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.07 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.792 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -63.14 -48.05 80.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.22 -50.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -57.17 -36.11 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.01 -45.04 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 93.4 t -62.73 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.782 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.5 mt -62.34 -49.11 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -71.93 -17.32 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 m -84.41 -27.1 27.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -96.18 137.79 21.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.65 -49.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 125' ' ' SER . 38.0 mtp -34.21 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.683 HG21 HD23 ' A' ' 107' ' ' LEU . 31.1 m -128.63 163.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -142.55 136.65 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 84' ' ' ILE . 61.8 t -102.42 121.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -39.28 159.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -59.23 -36.67 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -77.25 -35.52 55.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.86 51.86 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -123.99 -35.76 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -135.98 143.81 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 115' ' ' VAL . 1.7 m -124.86 148.91 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -131.84 143.67 50.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.05 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' MET . 20.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.6 -45.71 74.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.34 -45.39 91.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.42 -45.01 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.29 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -59.53 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 57' ' ' LEU . 9.7 tp -59.97 -40.59 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -62.14 -42.01 98.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -67.05 -35.11 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 50.4 mm-40 -66.28 -49.59 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 107' ' ' LEU . 40.0 mt -65.02 -44.94 87.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.97 -45.96 79.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 33.9 t80 -68.58 -39.19 81.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.77 -34.6 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -88.45 1.28 55.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 t -61.6 157.87 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.38 -45.3 94.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 8.6 pt-20 -70.35 -43.0 71.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 11.6 t-20 -65.35 -37.73 87.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 73' ' ' ILE . 20.3 mt -66.09 -45.6 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -70.32 -25.15 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -86.28 -33.36 20.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.7 t0 -83.14 78.02 9.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.04 -33.49 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.67 -46.77 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.652 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -60.02 -42.03 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 66' ' ' LEU . 56.9 mt -63.88 -41.41 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -69.63 -26.9 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -83.1 -26.42 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.423 ' CG ' HG12 ' A' ' 82' ' ' ILE . 11.1 mtt -47.33 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 7.6 t0 -107.56 -175.05 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -61.24 -44.46 97.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.15 26.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.61 32.35 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' ASP . 13.7 m-85 -101.29 138.05 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.478 HG23 ' HD2' ' A' ' 83' ' ' PRO . 16.2 mt -111.97 136.54 21.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 137.02 34.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -65.43 -27.98 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -64.44 -40.69 96.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 4.7 m -60.91 -45.03 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG13 ' SD ' ' A' ' 90' ' ' MET . 89.3 t -77.33 -34.63 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.54 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -79.0 -21.14 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.447 ' SD ' HG13 ' A' ' 87' ' ' VAL . 8.8 mtt -45.48 131.82 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.66 -46.38 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.08 -38.81 92.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 38.5 mm -71.49 -36.78 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -70.65 -40.3 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -73.86 -30.24 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.2 mt -87.71 -29.56 21.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.579 HG23 HD23 ' A' ' 102' ' ' LEU . 31.7 m -162.09 113.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.93 33.11 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 97' ' ' THR . 5.1 t70 -126.04 130.19 24.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -45.03 1.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.05 -41.58 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 97' ' ' THR . 22.7 tp -63.96 -42.65 97.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.9 -44.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 84' ' ' ILE . 41.9 mt -60.16 -40.6 90.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.07 -43.62 91.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.515 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.8 t -61.1 -44.62 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.064 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.7 mt -65.67 -49.05 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -71.85 -16.92 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -86.87 -24.49 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.632 ' HB3' HG22 ' A' ' 113' ' ' VAL . 7.9 t -88.01 131.22 43.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -18.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.0 mtp -78.61 -12.38 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 107' ' ' LEU . 27.7 m -140.86 152.27 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -136.88 123.19 20.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 122' ' ' VAL . 38.6 t -95.67 127.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.63 138.37 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.42 -50.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.81 -43.96 81.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.88 55.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -130.11 -32.46 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -136.91 146.37 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 115' ' ' VAL . 3.0 p -128.92 146.35 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.461 ' HD2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 ptm180 -134.01 147.57 64.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.26 3.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.75 -47.94 67.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.41 -45.76 90.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -37.48 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.4 m -61.41 -49.74 75.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.89 -40.97 90.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -62.82 -41.51 99.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.17 -34.94 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.21 -48.37 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.532 HD12 ' CG1' ' A' ' 106' ' ' VAL . 50.8 mt -63.06 -45.47 92.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.59 -45.98 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 16.1 t80 -64.48 -45.84 85.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.7 t -62.94 -30.87 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.81 -0.41 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -62.18 156.3 22.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.32 -45.79 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.36 -43.08 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 10.2 t-20 -64.12 -40.92 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 72' ' ' LEU . 27.2 mt -63.33 -45.74 89.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 73' ' ' ILE . 45.7 t -77.25 -15.46 59.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -91.69 -30.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -91.36 91.58 8.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.46 -43.17 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.0 -46.99 86.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -58.75 -44.58 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -62.02 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -69.56 -26.42 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -84.51 -23.6 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 66' ' ' LEU . 11.3 mtt -48.02 173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t0 -108.24 -174.97 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -65.28 -37.31 86.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.429 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 5.2 t0 -99.04 27.91 4.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 63.37 52.96 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' ASP . 22.1 m-85 -119.51 140.8 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 83' ' ' PRO . 50.7 mt -112.1 136.95 21.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.707 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.4 Cg_endo -69.65 138.94 39.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.881 HD13 HD21 ' A' ' 104' ' ' LEU . 46.8 mt -66.04 -30.45 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.596 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 4.9 p-90 -62.57 -39.97 95.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 5.8 m -63.1 -42.1 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.14 -35.49 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.08 -20.3 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' TRP . 2.4 m-80 -89.01 -14.11 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.441 ' CB ' HG12 ' A' ' 93' ' ' ILE . 7.6 mtt -56.39 131.34 48.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -54.98 -50.77 68.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -39.34 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' CB ' ' A' ' 90' ' ' MET . 29.0 mm -72.31 -33.29 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -73.44 -39.74 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.54 -29.1 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.52 -31.54 19.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 HD23 ' A' ' 102' ' ' LEU . 6.2 m -156.26 127.74 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.4 40.91 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -138.71 134.08 17.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.88 5.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.18 -42.28 89.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 106' ' ' VAL . 36.3 tp -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.38 -46.99 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.881 HD21 HD13 ' A' ' 84' ' ' ILE . 49.1 mt -57.87 -39.97 79.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 109' ' ' SER . 43.3 tt0 -66.11 -40.37 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.3 t -65.23 -43.57 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 mt -66.07 -49.15 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 13.6 ttm105 -72.19 -17.23 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 17.6 t -86.01 -25.41 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.447 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.4 m -78.06 128.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 125' ' ' SER . 36.3 mtp -93.6 -27.3 16.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 107' ' ' LEU . 15.2 m -131.01 147.84 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.0 mp0 -133.34 141.79 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.8 t -99.41 131.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 117' ' ' GLU . 10.6 t70 -44.15 138.82 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ASP . 19.4 tp10 -37.82 -52.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.08 85.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.48 60.45 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -129.46 -33.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -141.12 153.07 45.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.02 134.92 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 13.2 ptt180 -119.82 144.0 36.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.48 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.96 -35.78 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.23 -46.95 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.16 -38.92 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -61.9 -47.64 84.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 10.4 tp -59.92 -41.18 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 27.4 ttpt -61.97 -40.59 96.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -67.07 -40.04 86.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.1 mm-40 -62.81 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 94.2 mt -64.88 -44.07 90.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.06 -45.98 79.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.07 -42.8 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.79 -31.35 72.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.95 -0.02 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -58.6 158.72 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -61.57 -45.89 92.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.28 -42.37 72.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.73 -38.32 88.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 72' ' ' LEU . 38.3 mt -65.67 -45.12 84.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -75.13 -17.65 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -94.11 -29.24 15.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -86.54 81.48 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.89 -40.36 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -59.53 -46.88 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 66' ' ' LEU . 14.2 tp -59.45 -41.31 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 66' ' ' LEU . 43.1 mt -68.43 -35.77 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.93 -27.53 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -85.77 -26.31 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 mtt -44.7 165.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' PHE . 23.1 t70 -102.58 176.69 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -56.26 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -92.57 28.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 58.84 32.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.8 m-85 -102.99 138.0 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 83' ' ' PRO . 41.3 mt -103.43 137.12 19.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.5 Cg_endo -69.65 138.5 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.533 HD13 HD21 ' A' ' 104' ' ' LEU . 82.8 mt -66.04 -31.39 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -59.32 -39.74 84.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 45.1 m -65.78 -43.97 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.19 -45.12 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.15 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -22.51 27.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.455 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.0 mtp -48.32 140.59 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.83 -50.17 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -64.07 -39.87 95.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 30.9 mm -68.99 -32.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -72.21 -45.77 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -68.73 -28.53 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 59.1 mt -86.5 -33.73 20.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 102' ' ' LEU . 96.7 m -151.26 141.54 22.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -125.69 27.71 6.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -132.17 136.79 28.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -43.38 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.255 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.96 -41.43 97.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 97' ' ' THR . 25.5 tp -63.02 -45.01 94.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.28 -44.59 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 HD13 ' A' ' 84' ' ' ILE . 26.8 mt -62.13 -36.57 82.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -64.97 -44.39 89.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 99.3 t -60.98 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.1 mt -63.24 -48.11 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -63.42 -33.1 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -75.79 -11.07 59.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -99.9 119.18 60.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.52 16.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 mtp -90.46 8.26 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 20.9 m -151.05 160.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.0 tp60 -125.07 131.8 53.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.2 127.72 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' GLY . 27.6 t70 -53.13 134.7 38.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' ASP . 73.9 mm-40 -35.66 -41.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -78.53 -41.14 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 98.92 49.92 1.55 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -110.17 -32.91 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -139.89 148.78 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 114' ' ' GLN . 4.7 p -133.05 135.87 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.531 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.4 ptt180 -129.21 151.31 77.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.99 9.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.914 0.388 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 3.6 t0 -68.31 -36.8 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 96' ' ' LEU . 41.6 mt -70.66 -47.03 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -64.95 -45.05 87.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.22 -38.36 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -65.63 -50.48 64.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.95 -37.59 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.77 -44.11 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 58.2 mm-40 -64.78 -49.93 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 107' ' ' LEU . 70.5 mt -60.43 -44.97 95.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -61.57 -46.02 91.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -69.38 -35.44 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CE ' ' A' ' 90' ' ' MET . 3.2 t -67.4 -38.34 84.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CD2' HG12 ' A' ' 113' ' ' VAL . 17.3 m-85 -85.08 -0.45 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 p -59.17 154.15 16.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 26.1 mtm105 -61.54 -42.5 98.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.99 -42.72 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.45 -38.67 84.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 72' ' ' LEU . 54.2 mt -64.04 -43.96 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 41.2 t -72.91 -29.13 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -83.94 -28.17 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -86.37 77.36 9.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.0 mt -53.82 -31.04 47.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -66.19 -46.87 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 66' ' ' LEU . 13.9 tp -61.86 -40.4 95.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.611 HD11 ' O ' ' A' ' 66' ' ' LEU . 54.8 mt -66.19 -36.79 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -68.83 -32.68 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -82.28 -22.97 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.515 ' CE ' HD22 ' A' ' 66' ' ' LEU . 22.8 mtt -52.0 169.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.68 -179.09 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.9 t -57.01 -45.1 83.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' HB2' ' CD2' ' A' ' 81' ' ' PHE . 1.2 m-20 -84.59 20.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 62.96 27.77 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 4.9 m-85 -89.61 137.05 32.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 83' ' ' PRO . 51.9 mt -110.53 137.84 20.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 111.201 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.806 HD13 HD21 ' A' ' 104' ' ' LEU . 41.5 mt -59.7 -32.31 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.577 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 4.3 m -64.16 -43.81 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.19 -45.09 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.59 -18.2 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.0 -9.55 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.45 ' CB ' HG12 ' A' ' 93' ' ' ILE . 5.4 mtt -56.71 139.62 49.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.04 -50.99 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -63.34 -37.08 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.45 HG12 ' CB ' ' A' ' 90' ' ' MET . 17.1 mm -71.06 -36.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -69.6 -43.44 72.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -31.82 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 83.5 mt -79.4 -37.17 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 99' ' ' ASP . 35.9 m -165.85 144.19 5.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.7 p -117.26 22.48 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.833 ' H ' HG22 ' A' ' 97' ' ' THR . 2.4 t70 -102.4 121.99 48.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.84 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -64.15 -41.87 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 97' ' ' THR . 28.8 tp -63.05 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.98 -48.46 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.806 HD21 HD13 ' A' ' 84' ' ' ILE . 24.4 mt -61.7 -38.23 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.37 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 57' ' ' LEU . 75.3 t -61.8 -44.07 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 57' ' ' LEU . 36.8 mt -64.02 -49.07 73.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -68.89 -16.94 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -87.18 -20.13 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 m -96.47 132.96 25.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -32.04 19.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.76 2.307 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.4 mtp -60.25 -23.34 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 107' ' ' LEU . 20.5 m -129.65 149.58 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.58 129.09 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 122' ' ' VAL . 58.8 t -97.44 128.22 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -48.26 146.82 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -44.36 -50.73 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -59.41 -43.23 93.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.35 51.46 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -123.23 -21.97 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -148.13 155.77 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 115' ' ' VAL . 1.6 p -134.95 144.7 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.6 ptp180 -131.41 147.53 66.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.91 109.76 2.42 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.818 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.4 -34.32 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -73.54 -43.74 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -45.11 91.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.56 -42.33 95.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -58.91 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.008 HD23 HG21 ' A' ' 106' ' ' VAL . 12.6 tp -60.02 -40.78 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 110' ' ' SER . 48.4 tttp -62.64 -41.12 98.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.12 -37.85 84.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 8.7 mm-40 -62.13 -50.08 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.13 -45.61 92.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -70.97 -38.55 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.98 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.1 m-85 -77.55 5.39 9.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -63.67 153.66 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.8 -44.11 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.11 -40.12 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -66.92 -42.03 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.731 ' O ' HD11 ' A' ' 73' ' ' ILE . 54.5 mt -64.3 -41.06 97.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -73.34 -36.75 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -78.07 -24.02 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.97 81.58 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.7 mt -57.82 -37.56 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.19 -46.87 88.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.677 HD23 HD23 ' A' ' 66' ' ' LEU . 14.5 tp -58.58 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 66' ' ' LEU . 59.2 mt -62.69 -36.79 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -69.53 -27.38 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -82.38 -26.94 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.551 ' CE ' HD22 ' A' ' 66' ' ' LEU . 26.3 mtt -57.65 162.86 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -102.44 174.61 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.3 p -50.88 -32.43 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.56 23.67 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 52.03 46.59 26.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.484 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 13.4 m-85 -115.07 137.07 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 6.8 mt -102.73 135.29 19.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.71 137.25 35.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.57 -30.45 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.94 -41.49 96.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.448 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 97.8 m -68.33 -39.97 81.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.8 t -71.58 -35.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.19 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.53 -10.31 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.4 mtt -58.89 137.2 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -49.77 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.414 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 35.4 mm -66.43 -29.85 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 98' ' ' THR . 20.9 mtpp -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -27.6 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 93.0 mt -90.96 -30.44 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.561 ' OG1' HD22 ' A' ' 53' ' ' LEU . 22.2 m -149.23 131.5 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 94' ' ' LYS . 5.1 p -124.4 28.32 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.9 137.92 29.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.71 3.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -63.03 -42.65 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -62.99 -42.19 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.506 HG13 HG21 ' A' ' 97' ' ' THR . 63.3 mt -61.11 -45.72 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -43.58 98.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 1.008 HG21 HD23 ' A' ' 53' ' ' LEU . 98.3 t -63.09 -49.69 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 122' ' ' VAL . 31.5 mt -61.71 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -66.74 -26.2 66.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 t -86.33 -25.34 25.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.501 ' O ' HG22 ' A' ' 113' ' ' VAL . 2.4 t -81.88 116.63 64.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.734 0.778 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -18.85 36.19 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtp -78.5 10.09 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 110' ' ' SER . 34.0 m -144.38 159.94 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 122' ' ' VAL . 17.3 tt0 -130.63 129.12 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.22 133.63 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.53 144.11 55.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -38.46 -44.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.37 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.98 -26.48 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -140.01 151.28 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.576 HG21 HD22 ' A' ' 107' ' ' LEU . 6.6 p -135.84 137.75 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 10.5 ptm180 -127.47 150.14 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 110.77 2.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.757 2.305 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.922 0.391 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.97 -47.45 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.1 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -64.56 -44.86 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -62.61 -44.54 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -58.23 -48.3 80.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 106' ' ' VAL . 11.4 tp -59.97 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -61.65 -46.03 91.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.5 -37.15 86.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 65.0 mm-40 -63.52 -49.36 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' HG ' ' A' ' 107' ' ' LEU . 74.2 mt -65.02 -44.64 88.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.68 -46.01 87.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -71.46 -35.76 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.1 m -67.89 -31.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.767 ' CE2' HD12 ' A' ' 82' ' ' ILE . 12.0 m-85 -95.4 4.45 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -61.52 153.1 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.83 -44.3 94.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.0 -43.58 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.26 -38.91 92.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 72' ' ' LEU . 43.2 mt -64.28 -45.14 89.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.6 t -69.02 -25.79 64.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -86.61 -31.96 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 32.3 t0 -84.91 79.24 9.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -53.72 -37.42 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.84 -47.02 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -60.42 -39.45 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 66' ' ' LEU . 55.2 mt -65.17 -40.22 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.05 -28.11 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -82.39 -26.35 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 mtt -46.21 168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.22 -174.75 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 34.2 t -65.24 -49.37 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.4 t0 -85.69 24.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 78' ' ' SER . 13.1 mp0 63.69 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 24.2 m-85 -122.82 137.62 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 61' ' ' PHE . 32.7 mt -110.02 136.71 20.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.81 141.03 43.95 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.635 2.223 . . . . 0.0 112.324 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.085 HD13 HD21 ' A' ' 104' ' ' LEU . 57.3 mt -64.96 -29.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD2' ' N ' ' A' ' 86' ' ' THR . 2.2 p-90 -60.63 -44.65 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 8.4 m -63.15 -35.09 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.184 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.12 -45.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.71 -20.3 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.0 -13.89 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.2 mtt -53.92 133.93 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -57.81 -50.23 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.51 -30.32 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.48 -44.22 62.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -69.01 -28.23 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 46.4 mt -85.13 -36.24 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 99' ' ' ASP . 31.0 m -159.59 135.1 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -119.6 32.13 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.603 ' H ' HG22 ' A' ' 97' ' ' THR . 16.4 t0 -119.32 131.36 24.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.526 0.679 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -45.05 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -64.5 -39.37 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.499 HD23 ' CG2' ' A' ' 97' ' ' THR . 22.4 tp -66.24 -48.04 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.79 -51.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 84' ' ' ILE . 45.0 mt -56.85 -37.73 71.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.73 -44.42 96.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.727 HG21 HD23 ' A' ' 53' ' ' LEU . 84.7 t -61.69 -44.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 57' ' ' LEU . 43.9 mt -65.4 -40.96 94.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.45 -32.12 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 p -80.71 -27.95 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -79.77 129.3 71.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.737 0.779 . . . . 0.0 110.815 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.0 Cg_endo -69.75 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.0 mtp -39.93 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 107' ' ' LEU . 5.0 m -130.44 160.68 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -143.37 128.04 18.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 119' ' ' GLY . 12.8 t -97.98 132.99 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 119' ' ' GLY . 7.9 m-20 -55.21 139.36 42.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 116' ' ' ASP . 7.0 mm-40 -35.77 -48.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -59.96 -46.94 87.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.66 44.81 2.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -114.15 -28.48 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -144.26 149.96 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.07 134.96 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 9.7 ptt180 -123.57 146.08 48.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 107.77 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.796 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.81 -44.93 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.76 -43.16 97.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -64.29 -44.41 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.4 -40.53 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.0 m -62.65 -47.41 83.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 106' ' ' VAL . 9.7 tp -59.9 -41.49 91.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.37 -40.92 98.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -67.13 -35.85 80.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 21.0 mm-40 -69.17 -46.29 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 107' ' ' LEU . 46.5 mt -64.72 -45.46 86.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -66.26 -45.89 78.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CE2' ' ND2' ' A' ' 65' ' ' ASN . 87.3 t80 -68.68 -37.77 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 m -66.47 -34.86 78.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.631 ' CD2' HG11 ' A' ' 113' ' ' VAL . 11.8 m-85 -91.06 5.96 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -65.89 154.52 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -60.23 -46.01 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.45 -43.96 72.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.694 ' ND2' ' CE2' ' A' ' 59' ' ' PHE . 11.6 t-20 -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 72' ' ' LEU . 34.5 mt -62.09 -46.07 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -28.16 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -90.58 -9.38 47.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 20.5 t0 -104.21 74.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.789 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.1 -40.82 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -58.12 -45.73 86.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.59 -48.83 79.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.07 -29.81 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -65.19 -41.56 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.505 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -82.01 -26.13 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 75' ' ' GLN . 18.2 mtt -43.6 151.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.79 176.9 6.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 m -62.53 -30.4 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.04 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 62.96 29.74 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 11.9 m-85 -103.17 138.73 39.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.494 HG23 ' NE2' ' A' ' 75' ' ' GLN . 30.6 mt -115.97 136.5 22.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.51 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.73 142.87 49.22 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.614 HD13 HD21 ' A' ' 104' ' ' LEU . 61.9 mt -65.63 -28.26 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.593 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.5 p-90 -62.71 -45.76 91.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 15.8 m -61.42 -38.53 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.71 -40.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.05 -16.76 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -89.22 -14.38 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.7 mtt -53.64 135.48 40.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -57.08 -49.25 76.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -44.61 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.81 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.6 mm -68.29 -32.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -75.48 -41.4 55.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -26.86 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 42.5 mt -84.32 -37.02 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.818 HG22 ' H ' ' A' ' 99' ' ' ASP . 82.8 m -166.11 144.14 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.4 24.65 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.818 ' H ' HG22 ' A' ' 97' ' ' THR . 10.9 t0 -104.03 120.85 49.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -39.54 6.35 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.91 -42.87 99.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 97' ' ' THR . 27.0 tp -63.0 -41.61 99.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.94 -49.66 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 84' ' ' ILE . 19.9 mt -59.77 -38.32 81.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.53 -43.0 91.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 102' ' ' LEU . 93.6 t -66.96 -44.72 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 HG21 ' A' ' 113' ' ' VAL . 28.2 mt -63.08 -49.04 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -18.68 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.4 t -85.07 -26.97 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -90.28 133.2 33.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -31.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.6 mtp -57.93 -26.01 61.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.704 HG21 HD23 ' A' ' 107' ' ' LEU . 25.4 m -130.14 150.13 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.0 129.75 40.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.413 HG12 ' HA2' ' A' ' 119' ' ' GLY . 21.3 t -98.72 130.68 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.4 t0 -56.82 142.92 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.5 mm-40 -36.58 -51.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -58.27 -48.99 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.6 44.68 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -116.92 -15.77 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -151.72 149.04 28.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.594 HG21 HD22 ' A' ' 107' ' ' LEU . 3.2 p -126.42 146.63 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 16.7 ptt180 -135.44 143.93 47.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 112.1 2.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.61 -45.76 67.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.39 -45.25 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -63.54 -44.93 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -42.73 99.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.57 -46.29 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 HG21 ' A' ' 106' ' ' VAL . 10.8 tp -60.12 -40.92 91.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -62.82 -40.37 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -67.06 -39.57 86.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 23.5 mm-40 -66.31 -42.86 87.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' A' ' 107' ' ' LEU . 69.8 mt -65.04 -45.4 85.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.17 -45.96 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CE1' ' ND2' ' A' ' 65' ' ' ASN . 39.5 t80 -65.39 -49.45 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 14.5 m -59.69 -30.64 68.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 82' ' ' ILE . 13.5 m-85 -93.44 3.89 54.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 t -66.82 156.01 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -45.43 92.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.02 -39.93 83.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 59' ' ' PHE . 19.6 t-20 -68.02 -39.63 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 72' ' ' LEU . 61.6 mt -64.18 -44.73 91.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -69.85 -38.1 76.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -76.39 -30.05 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 38.1 t0 -86.51 78.61 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -53.32 -36.48 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -62.05 -46.79 87.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.2 -40.25 89.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.04 -42.47 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -66.19 -31.57 72.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -83.89 -24.08 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.417 ' CG ' HG12 ' A' ' 82' ' ' ILE . 30.1 mtp -62.64 170.22 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -105.02 -176.42 3.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.3 m -65.54 -43.74 89.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 23.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.38 47.77 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -109.94 138.95 45.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.583 HG23 ' HD2' ' A' ' 83' ' ' PRO . 62.3 mt -118.6 137.46 24.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.8 138.59 38.07 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.772 ' CD1' HD21 ' A' ' 104' ' ' LEU . 70.0 mt -65.66 -29.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.5 p-90 -63.13 -38.7 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -66.65 -45.02 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.96 -45.15 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.32 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -20.99 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtp -47.38 133.82 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.53 -48.69 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.06 -46.07 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.5 mm -60.39 -40.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -67.31 -38.89 85.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -65.63 -30.94 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 94.9 mt -85.74 -37.04 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.827 HG22 ' H ' ' A' ' 99' ' ' ASP . 51.6 m -166.02 143.8 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -114.31 26.53 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.827 ' H ' HG22 ' A' ' 97' ' ' THR . 8.5 t0 -110.02 120.56 44.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -38.01 8.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.56 -42.35 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 97' ' ' THR . 32.4 tp -63.05 -42.7 99.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.77 -45.88 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.93 HD22 HG11 ' A' ' 115' ' ' VAL . 35.0 mt -62.79 -36.33 82.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.14 -39.84 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.3 t -67.7 -46.26 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.83 ' CD2' HG21 ' A' ' 113' ' ' VAL . 32.4 mt -65.52 -47.36 76.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -68.27 -28.59 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.7 t -76.38 -23.49 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 113' ' ' VAL . 2.4 p -93.04 137.2 23.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -31.49 20.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 37.3 mtp -54.34 -34.54 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CD2' ' A' ' 107' ' ' LEU . 19.5 m -129.09 163.99 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.733 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.3 tm0? -140.93 132.95 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.93 HG11 HD22 ' A' ' 104' ' ' LEU . 45.3 t -100.62 119.14 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' VAL . 13.5 t70 -37.52 145.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -53.77 -20.0 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -88.53 -35.11 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.74 45.59 5.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -119.03 -30.91 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -145.47 144.85 30.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.0 p -125.12 137.91 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -125.85 144.65 49.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 123.13 9.78 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' SER . 26.8 p -133.84 128.57 34.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' SER . 29.1 t -36.39 -59.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.58 -123.71 2.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -132.54 -59.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 m -92.19 161.51 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.94 -132.76 6.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.72 174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.19 105.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -130.86 174.03 10.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -58.2 -29.61 65.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.58 -42.0 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.86 -36.56 72.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.02 -44.68 79.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -64.98 -43.21 93.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.19 -44.98 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 53' ' ' LEU . 8.9 tp -60.18 -41.14 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -63.04 -40.31 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -67.01 -36.3 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.1 mm-40 -64.11 -49.78 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' A' ' 107' ' ' LEU . 98.6 mt -64.86 -44.35 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -64.59 -45.77 85.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 13.5 t80 -67.72 -42.01 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 m -62.71 -31.83 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD2' HG12 ' A' ' 113' ' ' VAL . 12.2 m-85 -93.85 0.49 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -60.24 157.12 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.53 -45.59 93.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.54 -43.75 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 5.3 t-20 -65.41 -39.03 91.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.68 ' O ' HD11 ' A' ' 73' ' ' ILE . 34.9 mt -63.41 -44.78 93.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 31.0 t -77.41 -16.66 58.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -90.29 -30.11 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -91.69 85.37 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.68 -32.81 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.96 -45.77 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.11 -44.59 87.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 66' ' ' LEU . 44.3 mt -64.77 -38.6 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -68.13 -27.14 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -83.87 -26.5 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.471 ' HE3' HD11 ' A' ' 82' ' ' ILE . 13.7 mtt -47.88 172.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.9 t0 -105.12 -175.49 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 -38.31 84.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -92.6 33.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 54.02 49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.1 m-85 -121.42 137.31 54.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 83' ' ' PRO . 47.7 mt -107.45 138.11 19.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.0 Cg_endo -69.78 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.805 HD13 HD21 ' A' ' 104' ' ' LEU . 44.9 mt -60.85 -31.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.9 p-90 -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.423 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 3.6 m -62.09 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 57' ' ' LEU . 95.4 t -72.03 -40.34 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -18.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.01 -14.71 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 mtt -53.34 136.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.96 -51.34 70.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.29 -42.18 90.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.26 -31.24 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -73.35 -40.09 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -73.1 -29.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 82.8 mt -83.53 -34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 99' ' ' ASP . 30.7 m -155.52 138.58 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -118.06 16.42 14.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.71 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -115.27 130.69 24.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -40.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 106' ' ' VAL . 21.4 tp -64.85 -46.6 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.22 -46.2 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.805 HD21 HD13 ' A' ' 84' ' ' ILE . 30.3 mt -58.34 -40.69 82.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.9 tt0 -63.82 -41.34 97.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 102' ' ' LEU . 78.8 t -62.56 -44.15 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.3 mt -66.01 -48.87 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.49 -24.57 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 16.9 m -76.42 -27.43 56.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -95.66 141.4 23.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PRO . 46.8 mtp -36.25 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD23 ' A' ' 107' ' ' LEU . 33.5 m -127.96 161.18 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.3 tt0 -144.03 125.3 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.411 HG12 ' HA2' ' A' ' 119' ' ' GLY . 39.7 t -100.06 127.73 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.8 t70 -44.99 134.86 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ASP . 36.4 mt-10 -35.69 -44.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -68.82 -46.9 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 102.58 61.58 0.72 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -130.22 -32.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -139.81 146.68 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.8 p -130.26 139.79 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.9 ptt180 -131.2 144.6 54.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 115.26 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.9 p -45.0 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 126' ' ' HIS . 6.5 p-80 -85.37 38.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -151.56 126.39 9.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -76.33 117.84 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.31 -39.21 10.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.5 pt -98.7 158.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -87.4 -50.92 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -175.41 -85.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.4 11.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 m -100.83 121.77 42.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.3 p -163.32 111.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.8 t -161.75 141.21 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 110.841 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -174.8 172.05 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.73 171.43 44.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 p -154.75 139.72 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -136.04 106.55 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . 170.2 -158.72 30.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.6 136.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.29 100.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -110.52 176.92 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -64.88 -37.74 88.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.19 -39.43 90.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.19 -43.06 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.06 -46.05 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.86 -39.12 87.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.1 m -67.73 -50.17 58.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD23 HG21 ' A' ' 106' ' ' VAL . 8.3 tp -60.06 -40.28 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -62.6 -41.96 99.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.933 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -67.17 -35.04 78.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.561 HE21 HD11 ' A' ' 96' ' ' LEU . 25.8 mm-40 -65.5 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.809 HD22 HD21 ' A' ' 107' ' ' LEU . 63.8 mt -64.08 -45.79 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.34 -45.91 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.498 ' CE2' ' ND2' ' A' ' 65' ' ' ASN . 64.7 t80 -66.9 -39.48 87.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.7 m -65.8 -33.35 75.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.9 m-85 -89.98 1.22 56.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 t -61.33 154.21 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -61.22 -45.84 92.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -70.43 -41.73 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.498 ' ND2' ' CE2' ' A' ' 59' ' ' PHE . 18.1 t-20 -63.84 -42.54 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 72' ' ' LEU . 55.7 mt -64.49 -45.47 87.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -62.72 -34.18 76.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -82.54 -27.89 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.67 85.29 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.61 -32.61 71.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.06 -46.54 74.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 66' ' ' LEU . 12.5 tp -60.28 -41.97 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -66.86 -35.84 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -69.25 -29.69 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -84.78 -25.6 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.872 ' HE1' HD13 ' A' ' 66' ' ' LEU . 26.2 mtt -47.5 171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.17 -175.12 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.9 m -63.78 -39.29 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 30.06 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 56.72 44.19 24.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 123' ' ' ARG . 22.8 m-85 -111.45 138.75 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 61' ' ' PHE . 25.6 mt -113.4 136.64 21.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.2 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' ' 104' ' ' LEU . 65.5 mt -65.84 -30.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.473 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 6.5 m -64.18 -43.17 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.0 t -72.02 -36.62 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.93 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -83.98 -22.03 31.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.426 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.3 mtt -46.56 134.97 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.59 -51.33 70.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.89 -44.41 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.426 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -62.56 -35.89 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 98' ' ' THR . 43.9 mtpt -70.2 -45.9 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.34 -28.02 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.561 HD11 HE21 ' A' ' 56' ' ' GLN . 86.1 mt -91.47 -33.23 15.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.641 HG23 HD23 ' A' ' 102' ' ' LEU . 16.1 m -156.02 131.87 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 94' ' ' LYS . 54.2 p -123.72 41.21 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -137.63 137.13 21.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.92 -38.18 87.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.641 HD23 HG23 ' A' ' 97' ' ' THR . 15.9 tp -63.46 -47.64 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.56 -48.7 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.461 HD21 HD13 ' A' ' 84' ' ' ILE . 22.3 mt -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.46 -41.25 96.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 95.4 t -64.85 -46.6 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.809 HD21 HD22 ' A' ' 57' ' ' LEU . 39.8 mt -61.11 -49.02 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 115' ' ' VAL . 58.6 mtt180 -70.14 -22.33 63.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -79.49 -28.06 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -94.09 134.41 25.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.68 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.778 2.319 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.7 mtp -39.43 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' PRO . 11.6 m -128.44 160.28 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -144.07 129.43 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 108' ' ' ARG . 18.3 t -98.41 132.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.73 158.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.79 -28.56 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -77.76 -45.6 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.36 53.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.01 -34.36 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -136.89 150.67 48.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG21 HD22 ' A' ' 107' ' ' LEU . 7.8 p -127.31 140.28 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 81' ' ' PHE . 8.2 ptm180 -128.08 146.86 60.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 106.76 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -60.36 109.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -45.22 -32.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -88.68 126.17 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -111.97 171.98 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 20.5 p -88.43 165.11 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 130' ' ' ILE . 5.2 mp -75.52 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m -153.13 126.98 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -114.72 -77.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.55 68.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -112.96 127.36 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.7 p 42.81 42.06 2.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 t -114.18 99.8 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -153.54 158.5 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.34 153.65 7.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -114.48 -5.62 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -124.15 83.19 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.92 -77.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.44 176.23 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 45' ' ' SER . 7.4 p -123.32 -41.16 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 44' ' ' VAL . 28.5 p -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -59.24 -40.59 86.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.78 -43.05 98.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 -46.53 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.77 -44.64 95.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.25 -44.25 92.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.51 -40.23 90.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.98 -49.88 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.784 HD23 HG21 ' A' ' 106' ' ' VAL . 13.3 tp -59.91 -41.18 91.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -62.92 -40.82 98.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.8 mm100 -67.53 -48.73 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' HG ' ' A' ' 107' ' ' LEU . 96.9 mt -65.02 -43.98 90.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -45.62 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.35 -39.22 78.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 m -66.61 -30.25 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -90.29 -0.17 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.1 p -65.95 157.38 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.12 -36.73 80.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.87 -43.87 74.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 4.2 t30 -71.61 -36.67 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.83 ' O ' HD11 ' A' ' 73' ' ' ILE . 67.8 mt -64.26 -38.88 92.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -79.89 -27.24 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -89.46 -13.67 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 34.8 t0 -102.18 79.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.7 -33.42 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -64.36 -46.96 81.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD23 HD23 ' A' ' 66' ' ' LEU . 12.2 tp -59.81 -44.09 94.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.978 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.83 HD11 ' O ' ' A' ' 66' ' ' LEU . 65.3 mt -65.54 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.79 -30.35 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.16 -26.96 32.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 82' ' ' ILE . 19.8 mtt -52.56 160.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 20.3 p30 -105.85 176.9 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -56.84 -26.99 59.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 2.1 m-20 -91.21 26.09 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 45.04 27.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 10.8 m-85 -104.39 137.75 41.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 83' ' ' PRO . 72.0 mt -103.53 138.54 19.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 82' ' ' ILE . 52.6 Cg_endo -69.87 135.9 31.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 104' ' ' LEU . 49.2 mt -62.87 -32.62 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.549 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -60.08 -37.96 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -65.18 -44.9 86.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.27 -45.09 97.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -21.9 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.69 -17.21 42.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.2 mtt -50.06 135.51 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -57.67 -49.87 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.69 -46.0 87.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -60.88 -35.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -69.71 -40.37 76.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -66.95 -29.77 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mt -88.1 -36.93 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 99' ' ' ASP . 37.7 m -158.24 131.69 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.99 28.78 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.617 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -120.28 133.4 23.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.82 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.576 HD23 ' CG2' ' A' ' 97' ' ' THR . 25.7 tp -63.84 -45.68 88.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.58 -43.62 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 84' ' ' ILE . 33.0 mt -61.53 -35.93 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.994 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 HD23 ' A' ' 53' ' ' LEU . 90.0 t -60.38 -44.28 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.737 HD23 HG21 ' A' ' 113' ' ' VAL . 27.1 mt -65.95 -48.03 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -71.25 -21.54 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.7 t -85.81 -21.55 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.418 ' HB3' HG22 ' A' ' 113' ' ' VAL . 2.9 t -96.31 134.53 23.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.738 . . . . 0.0 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.87 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 mtp -39.92 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 HD23 ' A' ' 107' ' ' LEU . 18.6 m -128.64 157.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -145.04 124.54 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.517 HG12 ' HA2' ' A' ' 119' ' ' GLY . 16.2 t -96.07 134.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -42.01 143.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -43.24 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -72.05 -44.6 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.517 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.51 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -118.98 -29.29 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -140.17 149.42 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.581 HG21 HD22 ' A' ' 107' ' ' LEU . 4.8 p -130.3 144.38 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 9.0 ptm180 -138.52 146.11 49.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.73 2.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 109.71 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -88.97 34.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? 58.26 40.36 24.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -84.89 38.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 2.1 t -135.2 142.65 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 130' ' ' ILE . 4.4 mp -94.69 97.94 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.4 p 43.36 47.97 5.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.41 -163.05 51.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.51 20.1 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.6 p -45.46 143.98 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.7 p -112.94 127.9 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.445 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.2 t -134.91 119.92 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -106.65 165.11 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.12 -148.55 25.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -138.4 132.52 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.4 m -97.86 101.33 12.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.06 -142.11 6.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.49 175.31 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.3 163.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -115.35 173.23 6.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.64 ' HA ' HD12 ' A' ' 49' ' ' LEU . 24.3 m -58.03 -31.99 67.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.97 -42.48 99.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -33.33 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 46' ' ' THR . 16.2 mt -71.61 -46.21 59.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.96 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.52 -42.94 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.49 -47.74 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.405 HD11 HD11 ' A' ' 57' ' ' LEU . 11.3 tp -60.01 -39.76 86.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.21 -42.52 99.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -66.99 -35.22 79.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 34.3 mm-40 -67.41 -48.56 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.965 HD13 ' HG ' ' A' ' 107' ' ' LEU . 86.5 mt -64.7 -44.38 90.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.56 -45.84 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 65.4 t80 -65.98 -47.66 73.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 50.6 m -57.49 -39.19 75.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.86 0.85 45.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -61.16 153.67 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 5.5 mmm180 -58.31 -45.74 87.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -70.89 -43.83 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 17.6 t-20 -62.45 -38.8 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 73' ' ' ILE . 29.5 mt -66.61 -45.39 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -66.6 -25.27 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -90.82 -27.93 18.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -89.5 76.58 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.8 -31.39 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.53 -46.74 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.91 -42.47 98.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.859 HD11 ' O ' ' A' ' 66' ' ' LEU . 53.6 mt -65.86 -37.8 80.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -69.85 -27.96 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -82.12 -26.82 33.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.9 mtt -47.74 174.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -107.73 -175.95 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -64.64 -40.06 94.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.73 33.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.32 43.31 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ASP . 11.6 m-85 -116.1 139.26 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 83' ' ' PRO . 53.5 mt -109.97 137.36 20.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.674 0.749 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.1 Cg_endo -69.73 136.53 33.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.946 HD13 HD21 ' A' ' 104' ' ' LEU . 63.4 mt -63.16 -31.95 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.526 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.1 p-90 -60.8 -40.46 92.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 7.9 m -62.6 -43.81 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.95 -36.85 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.81 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -84.88 -13.24 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.6 mtt -57.3 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.12 77.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 56' ' ' GLN . 16.2 pt-20 -63.86 -44.76 92.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.1 mm -67.69 -32.98 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -73.71 -41.13 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -71.36 -25.31 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 81.0 mt -94.48 -28.38 15.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.725 HG23 HD23 ' A' ' 102' ' ' LEU . 30.8 m -156.75 133.73 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 p -117.03 34.91 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.633 ' H ' HG22 ' A' ' 97' ' ' THR . 1.9 t70 -136.28 134.91 20.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.807 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -43.2 2.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.554 2.169 . . . . 0.0 112.385 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.62 -41.06 98.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.725 HD23 HG23 ' A' ' 97' ' ' THR . 22.2 tp -63.21 -46.76 85.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.15 -51.05 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.946 HD21 HD13 ' A' ' 84' ' ' ILE . 69.7 mt -58.9 -39.71 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.87 -44.7 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 102' ' ' LEU . 61.9 t -61.7 -53.24 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.965 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.7 mt -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.62 -29.99 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.9 t -75.85 -22.89 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.9 t -91.91 137.5 25.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.714 0.769 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.74 -46.92 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.6 mtp -39.91 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 107' ' ' LEU . 29.5 m -137.68 166.72 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -140.76 132.81 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 104' ' ' LEU . 59.1 t -108.0 120.61 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.5 t70 -39.88 134.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 30.2 mm-40 -37.93 -47.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.01 -50.06 74.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.67 47.82 1.74 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.85 -35.05 5.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.46 153.59 48.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 107' ' ' LEU . 3.7 p -132.94 144.68 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HD3' ' CE2' ' A' ' 81' ' ' PHE . 13.3 ptt85 -145.56 149.35 40.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.693 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 152.01 69.56 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.0 p -63.96 95.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -47.98 -32.14 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -146.99 124.97 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -128.82 26.0 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 71.7 m -43.11 -52.37 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 79.1 mt -113.43 124.09 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' GLY . 91.0 p -125.93 44.73 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 35.49 75.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -10.38 28.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -79.81 97.73 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.7 m -136.21 162.59 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.555 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p -120.94 88.15 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.1 p -60.93 155.54 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.88 102.09 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 t -145.91 165.28 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -42.2 163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.51 58.85 2.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.3 111.44 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.2 p -65.05 153.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 m -129.33 -42.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 47' ' ' GLU . 7.9 t -59.63 -41.05 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 46' ' ' THR . 2.9 tp10 -69.13 -42.73 75.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.9 -33.86 74.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.86 -45.74 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -63.62 -44.94 92.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.09 -44.98 94.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 74.5 m -59.88 -42.28 93.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD23 HG21 ' A' ' 106' ' ' VAL . 10.3 tp -59.92 -42.99 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -62.56 -38.99 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 52' ' ' CYS . 7.7 mtmp? -66.9 -38.37 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 39.5 mm-40 -70.12 -42.96 71.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.877 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.8 mt -64.99 -43.56 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.77 -45.6 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 4.6 t80 -70.39 -37.06 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.472 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 17.0 m -68.03 -31.04 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -94.99 3.83 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 153.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.74 -43.65 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 4.3 t30 -63.65 -42.98 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 72' ' ' LEU . 62.0 mt -62.35 -44.94 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 73' ' ' ILE . 10.0 t -65.86 -34.6 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -33.97 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.09 77.99 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -53.25 -32.0 46.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -66.43 -46.84 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 66' ' ' LEU . 13.2 tp -59.71 -41.65 91.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 67' ' ' SER . 9.4 mt -65.05 -38.59 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -68.69 -28.42 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.01 -24.88 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 mtt -48.37 177.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -112.6 -176.43 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.9 m -64.55 -42.94 95.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -88.98 31.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 56.17 48.22 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 23.9 m-85 -118.41 137.36 53.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.492 HG23 ' HD2' ' A' ' 83' ' ' PRO . 17.2 mt -106.59 136.57 19.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.631 0.729 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.594 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.7 Cg_endo -69.76 135.91 31.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 0.0 112.421 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 104' ' ' LEU . 46.6 mt -65.27 -33.58 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.4 p-90 -58.97 -36.98 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.6 m -63.9 -42.72 97.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.05 -34.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.61 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 1.4 p30 -81.82 -26.37 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 10.2 mtt -40.08 132.58 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.22 -50.3 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.45 -37.53 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.488 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 44.0 mm -72.54 -33.16 44.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CD ' ' O ' ' A' ' 89' ' ' ASN . 37.0 mtpt -73.29 -41.74 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -71.78 -29.61 64.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 85.7 mt -89.08 -34.25 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.692 HG23 HD23 ' A' ' 102' ' ' LEU . 21.4 m -145.02 132.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.1 p -120.09 39.81 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 97' ' ' THR . 2.2 t70 -148.44 138.26 12.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.521 0.677 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -44.69 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.593 2.196 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.18 -39.13 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.692 HD23 HG23 ' A' ' 97' ' ' THR . 20.7 tp -62.91 -47.15 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.502 HG13 HG21 ' A' ' 97' ' ' THR . 70.9 mt -62.79 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 84' ' ' ILE . 22.7 mt -63.03 -35.95 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.93 -44.32 89.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.66 HG21 HD23 ' A' ' 53' ' ' LEU . 71.9 t -61.45 -48.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.877 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.0 mt -65.94 -44.01 86.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -72.01 -23.95 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 t -81.9 -23.59 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -94.16 132.27 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -40.88 4.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.8 mtp -42.02 -27.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 107' ' ' LEU . 19.3 m -133.29 165.33 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.541 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.8 tp-100 -134.7 131.62 37.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 122' ' ' VAL . 91.2 t -94.93 123.35 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 17.6 t70 -38.42 140.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.13 -69.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -51.18 -44.32 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 105.74 40.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -112.85 -27.49 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 28.3 mtmt -138.16 154.57 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 115' ' ' VAL . 73.5 t -135.51 140.48 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 17.0 ptt180 -135.07 143.82 47.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.05 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.4 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -66.87 110.12 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -90.05 21.37 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -72.66 -48.28 40.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 59.21 44.53 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 49.3 t -120.95 113.54 20.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.4 pt -113.4 151.37 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.3 p -154.77 106.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -63.65 141.95 46.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.64 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.9 m -97.5 -49.69 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 52.3 m -142.7 108.1 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.1 m -52.13 159.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.795 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -118.95 -46.69 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.76 -166.29 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -88.26 105.09 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -52.69 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 37.51 -134.36 1.0 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.14 155.16 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.39 126.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.1 m -156.1 171.48 20.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -59.09 -30.12 67.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 10.2 pt-20 -64.26 -41.58 96.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.5 m-20 -71.89 -34.94 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.05 -41.31 61.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.95 -40.66 95.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 26.3 pt-20 -68.99 -44.81 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' HD22 ' A' ' 96' ' ' LEU . 9.5 p -62.24 -46.8 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 57' ' ' LEU . 11.1 tp -65.56 -40.73 93.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HA ' HG11 ' A' ' 106' ' ' VAL . 13.6 ttmm -62.89 -38.92 92.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -67.11 -39.03 86.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.444 HE21 HD11 ' A' ' 96' ' ' LEU . 22.5 mm-40 -67.38 -46.86 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.7 mt -65.07 -45.86 83.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' CD ' ' HG2' ' A' ' 54' ' ' LYS . 83.3 mt-10 -66.9 -45.84 76.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -67.24 -39.86 86.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 m -62.77 -38.23 89.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 82' ' ' ILE . 11.7 m-85 -85.97 5.03 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -68.15 156.24 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -59.81 -43.53 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -67.75 -42.92 81.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -66.81 -39.1 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 72' ' ' LEU . 50.8 mt -62.62 -43.96 97.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 73' ' ' ILE . 42.5 t -82.74 -23.12 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -18.07 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -103.44 83.88 2.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -55.5 -34.81 64.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -62.86 -46.92 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -60.54 -41.69 95.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 ' O ' ' A' ' 66' ' ' LEU . 83.3 mt -63.98 -37.21 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.5 t -69.72 -30.87 68.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -83.09 -23.29 33.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.453 ' CG ' HG12 ' A' ' 82' ' ' ILE . 36.0 mtp -69.44 150.6 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.52 175.3 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -58.44 -28.02 64.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -82.39 8.61 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 58.1 33.42 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.8 m-85 -110.39 141.18 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 61' ' ' PHE . 40.4 mt -113.3 136.78 21.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.5 Cg_endo -69.83 134.72 28.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.861 HD13 HD21 ' A' ' 104' ' ' LEU . 73.4 mt -59.45 -31.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.58 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.37 -43.34 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.529 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 9.0 m -63.46 -42.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.55 -45.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -16.99 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -15.49 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.6 mtt -54.27 135.94 43.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.15 -46.64 82.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.02 -44.59 88.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.93 -31.45 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.87 -41.88 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.87 -26.48 61.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.635 HD22 ' SG ' ' A' ' 52' ' ' CYS . 28.4 mt -88.4 -36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 99' ' ' ASP . 16.6 m -149.62 134.6 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -116.0 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 97' ' ' THR . 1.5 t70 -140.1 127.9 12.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.502 0.668 . . . . 0.0 110.95 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -39.93 5.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -62.0 -44.06 97.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 106' ' ' VAL . 26.6 tp -63.31 -46.46 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.439 ' HA ' HD21 ' A' ' 53' ' ' LEU . 52.4 mt -61.74 -44.62 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 84' ' ' ILE . 25.8 mt -62.83 -37.31 86.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 109' ' ' SER . 34.8 tt0 -64.18 -41.81 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 87.7 t -63.55 -44.91 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.3 mt -65.95 -48.91 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -31.73 70.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 30.9 m -71.93 -23.87 61.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -98.86 138.92 20.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.5 Cg_endo -69.74 -50.85 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' PRO . 34.0 mtp -34.9 -32.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' LEU . 30.9 m -128.1 154.24 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -131.17 132.99 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.42 125.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.7 t0 -39.95 128.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' ASP . 11.4 pt-20 -34.48 -48.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -64.37 -48.28 76.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 105.88 56.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -127.48 -32.66 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -138.71 150.75 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 107' ' ' LEU . 1.6 p -126.98 138.42 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 22.4 ptt85 -132.81 145.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.79 10.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.0 m -90.67 86.38 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.01 16.3 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -86.62 120.98 28.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -42.42 -51.1 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 130' ' ' ILE . 42.2 t -95.34 108.99 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 130' ' ' ILE . 5.3 mp -36.23 -62.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.8 p -75.83 99.12 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.28 -171.27 29.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 159.2 54.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -168.17 139.53 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.8 m -66.8 158.43 30.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.8 p -91.84 108.46 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 m -110.36 115.46 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -105.12 -168.41 24.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.9 p -45.78 128.45 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 110.786 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -50.26 146.95 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.39 -103.96 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.97 162.35 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 p -165.98 141.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.5 m -135.14 173.85 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -34.32 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -41.96 99.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.64 -41.24 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.82 -43.49 83.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -63.66 -45.0 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.75 -43.69 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.84 -42.71 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 53' ' ' LEU . 6.2 tp -60.08 -42.67 95.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -62.96 -39.14 93.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -67.03 -35.22 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.2 mm-40 -67.21 -47.24 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD22 HD21 ' A' ' 107' ' ' LEU . 48.6 mt -64.99 -44.2 90.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.61 -45.19 79.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 m -67.23 -32.16 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.1 m-85 -91.36 3.34 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -61.81 156.66 19.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -61.75 -45.68 92.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.2 -41.08 74.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -67.23 -38.26 84.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 72' ' ' LEU . 36.6 mt -66.92 -43.08 84.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 t -72.16 -25.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -90.1 -26.06 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -86.62 76.53 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.26 -31.15 52.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.85 -46.5 74.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 66' ' ' LEU . 15.7 tp -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.461 HD11 ' O ' ' A' ' 66' ' ' LEU . 8.0 mt -63.05 -41.98 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -65.33 -29.77 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -82.37 -24.23 34.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' HG12 ' A' ' 82' ' ' ILE . 23.4 mtp -70.15 151.01 45.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -90.08 -176.08 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -63.94 -36.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -78.46 8.13 5.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 63.39 45.41 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 14.1 m-85 -116.13 136.94 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 83' ' ' PRO . 23.7 mt -104.88 136.88 19.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.84 134.29 27.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.302 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' A' ' 104' ' ' LEU . 96.5 mt -60.75 -30.08 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.7 p-90 -62.08 -45.07 95.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 37.9 m -63.21 -43.98 96.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.23 -44.97 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.67 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.44 -11.45 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.9 mtp -54.71 140.05 37.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.42 -49.76 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.68 -45.93 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.2 mm -62.73 -39.19 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.49 -43.91 79.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.59 -31.92 72.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 71.2 mt -85.57 -36.97 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.937 HG21 HD23 ' A' ' 102' ' ' LEU . 62.8 m -164.02 145.7 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.2 p -118.51 15.53 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.857 ' H ' HG22 ' A' ' 97' ' ' THR . 13.5 t0 -96.67 124.11 51.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -45.12 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 102' ' ' LEU . 2.7 p30 -62.02 -39.55 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.937 HD23 HG21 ' A' ' 97' ' ' THR . 28.1 tp -64.81 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.58 -47.99 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 84' ' ' ILE . 25.5 mt -59.89 -36.92 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.07 -38.68 88.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.517 ' CG1' HD12 ' A' ' 57' ' ' LEU . 37.4 t -67.22 -45.5 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 57' ' ' LEU . 35.4 mt -65.98 -49.17 68.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -65.62 -28.17 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -75.83 -24.11 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' VAL . 7.8 t -97.6 139.11 21.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.79 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.5 mtp -41.46 -25.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 107' ' ' LEU . 10.8 m -131.95 151.16 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.71 129.9 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.05 128.28 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -43.57 139.43 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -39.05 -48.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -68.55 -45.28 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 44.68 1.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -109.79 -24.74 10.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -144.17 152.89 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.0 p -130.44 138.67 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 7.1 ptm180 -140.5 146.61 45.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.41 14.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -88.05 112.2 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.802 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -91.9 35.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -100.35 99.4 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.41 ' CD ' ' H ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -77.15 154.51 33.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 5.3 t -116.7 140.86 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 130' ' ' ILE . 8.2 tp -135.83 116.79 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.5 t 40.06 43.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.05 -169.65 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 151.69 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 51.3 p -78.91 154.7 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.3 t -117.75 -54.45 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m 43.99 40.96 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.6 t -140.25 151.0 44.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.08 113.91 0.46 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.2 m -90.33 117.79 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.4 m -60.35 131.65 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.88 167.82 11.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.591 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.7 132.55 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 m -94.58 128.79 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.5 m -76.14 176.91 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 47' ' ' GLU . 10.1 t -64.75 -40.32 95.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' HG23 ' A' ' 46' ' ' THR . 13.7 tt0 -59.41 -42.58 92.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -65.9 -45.79 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.98 -45.81 87.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.48 -44.73 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.82 -44.35 94.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.99 -41.93 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -61.07 -41.35 96.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -67.11 -35.2 79.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.8 mm-40 -66.51 -47.35 73.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.632 HD12 ' CG1' ' A' ' 106' ' ' VAL . 40.9 mt -64.88 -46.09 83.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.03 -45.92 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 62.7 t80 -66.47 -41.96 88.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.6 m -65.42 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 82' ' ' ILE . 8.0 m-85 -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -61.54 155.52 21.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -60.0 -45.14 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.58 -43.05 73.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 13.9 t-20 -62.73 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 72' ' ' LEU . 54.4 mt -63.5 -42.49 98.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' HD11 ' A' ' 73' ' ' ILE . 24.4 t -69.35 -33.09 72.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -80.56 -29.5 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -86.82 82.65 7.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.02 -34.22 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -64.36 -46.1 84.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 67' ' ' SER . 65.4 mt -66.44 -40.83 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -69.79 -28.21 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -82.44 -23.95 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 66' ' ' LEU . 21.5 mtt -51.2 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -129.48 -177.94 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -55.66 -49.99 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 11.0 t0 -84.41 23.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 61.27 42.25 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.0 m-85 -101.12 137.71 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 11.1 mt -110.9 136.27 20.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.588 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.3 Cg_endo -69.73 133.93 26.8 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.129 HD13 HD21 ' A' ' 104' ' ' LEU . 70.1 mt -65.22 -31.23 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.6 p-90 -62.23 -36.78 83.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.47 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -63.2 -45.0 93.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.08 -34.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.9 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.47 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 0.8 OUTLIER -86.59 -24.8 25.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.6 mtt -34.95 136.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.18 -52.13 66.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HZ2' ' A' ' 95' ' ' LYS . 31.8 mt-10 -58.58 -45.99 87.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 37.7 mm -57.43 -39.95 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -68.21 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HZ2' ' HA ' ' A' ' 92' ' ' GLU . 8.4 mtmp? -70.51 -33.05 70.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.6 mt -86.91 -36.71 18.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.926 HG21 HD23 ' A' ' 102' ' ' LEU . 87.5 m -165.73 144.5 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 p -115.54 19.11 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.917 ' H ' HG22 ' A' ' 97' ' ' THR . 7.9 t0 -104.63 124.06 38.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.536 0.684 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -38.05 8.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.13 -43.51 95.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.926 HD23 HG21 ' A' ' 97' ' ' THR . 37.6 tp -63.75 -43.83 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.88 -48.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.129 HD21 HD13 ' A' ' 84' ' ' ILE . 26.2 mt -60.63 -37.57 81.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.17 -39.68 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.632 ' CG1' HD12 ' A' ' 57' ' ' LEU . 77.9 t -65.9 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 113' ' ' VAL . 33.1 mt -65.19 -46.66 79.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -70.51 -25.49 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.1 m -72.02 -28.03 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 141.79 23.25 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.66 -47.72 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . 9.3 mtp -35.64 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 107' ' ' LEU . 11.6 m -128.76 147.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 122' ' ' VAL . 56.0 tp60 -131.69 129.7 41.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.33 132.77 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.45 144.07 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.93 -49.47 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -59.21 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.71 45.21 1.98 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -120.51 -22.23 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -144.1 144.07 31.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.69 140.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 2.2 ptp85 -127.34 144.9 52.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 106.09 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' HIS . 1.3 t -52.51 102.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' SER . 1.9 t-80 -34.44 -39.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -76.18 123.68 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 140.89 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.2 p -77.33 150.76 35.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.681 HD12 ' C ' ' A' ' 130' ' ' ILE . 2.0 pp -90.69 165.84 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.9 p -100.61 117.69 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 178.69 146.84 6.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 165.94 29.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.9 m -125.81 -51.28 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 69.2 p -64.21 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.48 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.0 p -65.35 -43.72 89.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 t -78.5 -52.19 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.8 123.59 5.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m -112.1 173.87 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -127.56 137.4 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.14 -178.0 19.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.25 87.13 4.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.98 163.07 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -120.69 177.45 5.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -61.49 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.95 -41.53 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.08 -35.44 76.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.46 -39.05 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -65.01 -45.1 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 13.3 pt-20 -65.16 -40.65 94.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 5.8 m -61.69 -47.33 85.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 57' ' ' LEU . 9.6 tp -60.06 -41.02 91.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -59.19 -44.64 92.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -67.03 -35.56 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.1 mm100 -66.05 -48.69 70.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.942 HD13 ' HG ' ' A' ' 107' ' ' LEU . 72.9 mt -64.99 -45.03 87.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.66 -43.5 84.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 45.3 t80 -67.35 -46.74 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.9 m -61.32 -31.65 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' A' ' 82' ' ' ILE . 14.0 m-85 -93.57 1.06 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -62.77 155.68 25.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -60.62 -44.76 95.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.2 -43.11 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 9.3 t-20 -66.33 -37.64 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.825 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.735 ' O ' HD11 ' A' ' 73' ' ' ILE . 40.0 mt -64.47 -45.17 88.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -67.88 -30.74 70.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -80.39 -35.83 34.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.8 t0 -81.39 81.6 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.12 -36.31 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.07 -46.99 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 66' ' ' LEU . 14.4 tp -58.49 -42.55 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 66' ' ' LEU . 79.0 mt -67.18 -35.28 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -69.32 -29.07 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -83.73 -26.97 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.4 mtt -43.56 164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -101.93 -176.52 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -65.27 -38.26 89.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.13 24.31 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 61.2 43.61 10.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.3 m-85 -112.68 143.18 44.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.666 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.5 mt -114.54 136.22 22.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.547 0.689 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.79 132.0 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.615 HD13 HD21 ' A' ' 104' ' ' LEU . 35.1 mt -62.68 -32.94 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -59.58 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.498 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -60.8 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.4 t -77.3 -34.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.76 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.016 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -78.79 -26.23 44.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.6 mtt -42.36 131.07 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.1 -45.8 86.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -62.09 -41.8 98.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 47.3 mm -67.1 -33.92 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -72.79 -46.82 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 52.9 mt -84.03 -34.33 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' H ' ' A' ' 99' ' ' ASP . 32.4 m -162.82 143.04 9.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.4 p -120.27 20.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.804 ' H ' HG22 ' A' ' 97' ' ' THR . 2.8 t70 -116.4 126.53 27.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 0.0 110.944 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.36 11.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.61 -44.12 91.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD23 HG21 ' A' ' 97' ' ' THR . 30.0 tp -64.22 -44.48 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.26 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 84' ' ' ILE . 25.1 mt -59.86 -39.26 84.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.0 tp10 -62.17 -44.0 97.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.0 t -61.86 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 57' ' ' LEU . 29.2 mt -62.56 -48.4 79.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -68.57 -25.52 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 38.7 t -81.48 -18.72 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t -97.76 139.69 21.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.2 Cg_endo -69.84 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . 52.0 mtp -34.23 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' A' ' 107' ' ' LEU . 33.3 m -130.36 167.47 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -145.16 129.77 18.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.495 HG11 HD22 ' A' ' 104' ' ' LEU . 49.0 t -94.93 129.01 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' GLU . 35.6 t0 -49.54 139.08 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' ASP . 34.9 tt0 -35.09 -51.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -62.72 -47.89 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.45 59.26 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.547 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -124.89 -36.4 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -137.22 149.43 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 p -127.42 144.22 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.534 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.5 ptt180 -134.42 146.49 59.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 126' ' ' HIS . 53.8 Cg_endo -69.78 116.96 4.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' MET . 91.5 p -45.69 92.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' PRO . 90.2 m-70 -44.04 -43.42 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -126.52 165.03 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.45 79.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.7 t -91.61 -52.06 4.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mm 53.7 45.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -116.77 163.41 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.28 13.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -31.52 20.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.8 m -85.26 149.33 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.8 p -71.42 -42.62 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.9 m -155.03 170.75 21.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -133.87 157.38 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.6 -162.25 33.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -153.32 119.03 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -97.61 153.65 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.05 83.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.45 121.69 44.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 44' ' ' VAL . 2.4 p -129.69 -3.92 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -133.57 168.64 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -65.45 -34.5 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.93 -40.86 95.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.78 -42.43 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.799 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.45 -45.97 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -63.09 -41.63 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.57 -40.01 95.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.4 t -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.687 HD23 HG21 ' A' ' 106' ' ' VAL . 14.2 tp -59.74 -38.35 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.59 -48.26 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 56' ' ' GLN . 8.8 pttp -67.61 -34.52 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.1 mm-40 -66.72 -46.31 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.6 mt -65.03 -45.5 85.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -65.92 -41.66 91.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -68.22 -37.55 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.3 t -64.77 -40.65 95.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 82' ' ' ILE . 7.6 m-85 -83.64 2.69 36.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.8 t -62.84 149.59 43.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -56.52 -44.24 80.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.7 -42.28 77.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -62.89 -44.22 96.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 72' ' ' LEU . 91.8 mt -61.29 -45.54 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -66.86 -32.17 73.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -85.11 -17.97 35.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -101.51 75.53 1.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.38 -28.93 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -68.66 -47.0 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 66' ' ' LEU . 15.8 tp -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 66' ' ' LEU . 71.9 mt -66.68 -38.61 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -69.6 -28.52 66.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -82.49 -26.32 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.492 ' HE3' HD11 ' A' ' 82' ' ' ILE . 17.6 mtt -45.59 170.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . 21.0 t70 -106.79 166.57 10.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -51.96 -27.41 13.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.5 31.11 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 54.01 30.95 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 9.6 m-85 -102.06 137.36 40.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 83' ' ' PRO . 28.7 mt -110.14 136.89 20.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.548 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.4 Cg_endo -69.72 133.65 26.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.616 HD13 HD21 ' A' ' 104' ' ' LEU . 45.2 mt -64.98 -27.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.548 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 3.1 p-90 -64.76 -32.0 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -68.91 -41.69 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 57' ' ' LEU . 47.2 t -76.96 -36.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.05 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -79.82 -19.22 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.8 mtt -47.65 143.0 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -64.04 -51.95 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 25.0 pm0 -62.22 -30.6 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 19.9 mm -73.86 -37.56 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -67.68 -39.41 84.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.9 -32.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 92.8 mt -85.04 -28.18 25.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.761 HG23 HD23 ' A' ' 102' ' ' LEU . 40.3 m -154.84 135.34 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -126.95 40.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -146.6 137.45 12.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -45.19 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.35 -39.61 93.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.761 HD23 HG23 ' A' ' 97' ' ' THR . 26.9 tp -62.95 -47.23 84.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.35 -48.02 89.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 84' ' ' ILE . 27.1 mt -57.25 -38.05 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.82 -43.58 88.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.687 HG21 HD23 ' A' ' 53' ' ' LEU . 77.7 t -62.72 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.841 HD23 HG21 ' A' ' 113' ' ' VAL . 21.4 mt -63.62 -47.91 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -67.86 -29.44 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -74.57 -28.13 60.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -94.14 133.31 27.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -44.27 2.23 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -45.03 -22.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.841 HG21 HD23 ' A' ' 107' ' ' LEU . 35.9 m -133.75 142.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -129.67 126.95 39.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.435 HG12 ' HA2' ' A' ' 119' ' ' GLY . 15.4 t -96.1 132.61 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 119' ' ' GLY . 28.1 t70 -53.18 136.14 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' ASP . 35.2 tt0 -34.19 -46.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -59.99 -46.35 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 94.94 45.93 2.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -120.82 -30.22 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.972 0.415 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -137.33 154.98 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 107' ' ' LEU . 2.5 p -135.84 145.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.498 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.2 ptp180 -131.09 151.16 78.44 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 116.2 4.46 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.2 m -69.84 99.6 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -51.05 -37.54 46.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.8 167.12 20.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.3 114.17 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.32 105.34 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.573 ' H ' HD12 ' A' ' 130' ' ' ILE . 5.4 mp -73.61 79.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.9 p -49.13 138.59 11.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.98 160.94 19.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.46 34.89 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.737 2.291 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 68.7 m -52.93 118.4 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.6 t -93.64 152.77 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.5 p -49.1 169.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -109.0 -51.63 2.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.5 72.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.8 p -95.95 40.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 m -109.06 160.26 16.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.52 -62.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 110.16 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.7 t -84.17 134.1 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.4 m -129.51 173.03 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.9 p -60.05 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -62.27 -42.26 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.84 -42.85 73.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.71 -44.76 95.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -62.35 -45.0 95.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.71 -41.57 98.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -60.92 -47.32 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD22 ' OG1' ' A' ' 97' ' ' THR . 9.0 tp -60.04 -39.3 85.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.14 -42.84 99.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -67.02 -35.04 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.8 mm-40 -65.59 -47.86 74.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 82.2 mt -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -66.96 -43.05 84.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -69.89 -43.77 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.56 -30.23 70.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.3 m-85 -89.99 2.1 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -64.91 155.17 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -71.01 -41.12 71.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -67.53 -38.46 84.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 72' ' ' LEU . 42.9 mt -66.01 -44.6 84.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -66.46 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -83.33 -22.08 32.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.436 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.5 t0 -91.77 76.06 5.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -54.85 -36.38 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -62.41 -46.43 88.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 66' ' ' LEU . 15.6 tp -60.73 -38.61 85.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.94 -38.57 81.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -70.07 -28.96 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -83.01 -24.28 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 66' ' ' LEU . 20.7 mtt -50.93 172.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -111.23 179.52 4.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 p -58.87 -41.02 86.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.96 37.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 50.46 35.42 11.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 7.1 m-85 -99.3 139.97 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.53 HD12 ' CE2' ' A' ' 61' ' ' PHE . 10.9 mt -111.92 136.24 21.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.586 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.8 Cg_endo -69.71 128.94 16.8 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.664 HD13 HD21 ' A' ' 104' ' ' LEU . 55.1 mt -58.98 -32.12 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.6 p-90 -59.03 -43.4 91.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.481 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 19.0 m -62.13 -37.09 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 57' ' ' LEU . 92.7 t -73.3 -45.07 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -15.7 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.86 -15.23 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.79 134.89 51.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.87 -52.03 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.06 -39.45 89.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.4 mm -69.78 -34.4 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 98' ' ' THR . 37.3 mtpt -73.63 -41.34 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -71.74 -26.19 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.6 mt -95.29 -30.03 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.912 HG23 HD23 ' A' ' 102' ' ' LEU . 51.3 m -150.38 119.85 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 94' ' ' LYS . 33.6 p -110.88 36.33 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' H ' HG22 ' A' ' 97' ' ' THR . 5.8 t70 -137.36 134.42 18.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.96 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.02 -38.62 91.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.912 HD23 HG23 ' A' ' 97' ' ' THR . 27.4 tp -62.85 -47.37 83.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.3 -43.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.664 HD21 HD13 ' A' ' 84' ' ' ILE . 33.1 mt -60.7 -38.92 86.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.88 -44.94 91.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.482 HG21 HD23 ' A' ' 53' ' ' LEU . 61.9 t -61.88 -45.61 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 113' ' ' VAL . 35.2 mt -63.14 -48.95 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -69.43 -20.58 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -86.36 -23.89 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.635 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.2 m -79.5 126.61 80.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.69 36.2 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.0 mtp -87.65 -18.31 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 107' ' ' LEU . 32.8 m -130.12 152.1 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.62 129.09 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.6 t -98.5 123.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -40.57 140.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -42.7 -52.86 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -60.38 -42.84 96.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.12 57.93 1.05 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -126.74 -30.01 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -142.73 154.65 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.477 HG21 HD22 ' A' ' 107' ' ' LEU . 2.3 p -133.17 144.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.1 ptp180 -134.06 144.68 52.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.34 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -62.57 104.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.12 35.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -94.97 165.1 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 42.85 46.26 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.0 p -56.7 132.25 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.2 mm -74.73 92.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.1 m -101.79 104.75 15.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -93.3 -158.83 34.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.98 35.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.737 2.292 . . . . 0.0 112.284 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.9 m -49.75 153.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 77.2 p -142.58 160.48 40.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 t -148.03 119.28 7.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 p -116.38 160.33 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -142.88 108.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.0 m -40.31 120.5 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -61.84 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.25 -145.31 4.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -95.26 99.32 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' ALA . 32.7 m 32.08 42.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 m -61.99 178.07 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 49' ' ' LEU . 3.3 m -57.86 -36.49 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.33 -42.81 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -69.43 -29.89 67.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 46' ' ' THR . 26.6 mt -72.32 -43.41 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.82 -45.06 91.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.71 -48.02 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 12.9 tp -59.92 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -62.06 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.0 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 35.2 mm-40 -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.782 HD13 ' HG ' ' A' ' 107' ' ' LEU . 38.0 mt -64.36 -43.06 95.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -66.47 -45.97 77.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 6.1 t80 -67.4 -41.23 85.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -94.34 5.92 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.9 m -66.55 160.48 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -68.61 -42.51 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 15.7 t-20 -68.28 -35.1 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 72' ' ' LEU . 34.7 mt -66.44 -45.06 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -69.55 -30.71 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -81.8 -33.64 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.36 85.28 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.79 -35.56 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -63.97 -47.01 82.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -59.43 -45.68 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 66' ' ' LEU . 62.2 mt -65.14 -33.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -30.95 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -81.99 -26.63 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.8 mtt -43.41 166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -113.28 170.32 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -49.9 -25.25 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -109.26 51.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 33.07 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 79' ' ' ASP . 8.1 m-85 -102.88 138.94 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 83' ' ' PRO . 24.4 mt -117.46 136.79 23.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.9 Cg_endo -69.74 125.97 12.78 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -58.25 -32.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.01 -36.98 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -63.32 -39.27 94.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.3 t -75.98 -36.9 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.96 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -86.06 -14.18 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 11.6 mtt -53.05 136.65 34.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.06 -44.17 94.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.5 -40.75 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.401 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 33.7 mm -71.45 -29.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -73.22 -40.77 64.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -73.36 -29.93 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 70.7 mt -87.97 -32.16 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.792 HG23 HD23 ' A' ' 102' ' ' LEU . 52.3 m -147.19 137.4 23.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.2 p -124.32 31.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 97' ' ' THR . 4.8 t70 -134.59 135.84 24.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.07 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.792 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -63.14 -48.05 80.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.22 -50.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -57.17 -36.11 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.01 -45.04 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 93.4 t -62.73 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.782 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.5 mt -62.34 -49.11 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -71.93 -17.32 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 m -84.41 -27.1 27.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -96.18 137.79 21.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.65 -49.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 125' ' ' SER . 38.0 mtp -34.21 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.683 HG21 HD23 ' A' ' 107' ' ' LEU . 31.1 m -128.63 163.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -142.55 136.65 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 84' ' ' ILE . 61.8 t -102.42 121.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -39.28 159.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -59.23 -36.67 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -77.25 -35.52 55.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.86 51.86 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -123.99 -35.76 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -135.98 143.81 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 115' ' ' VAL . 1.7 m -124.86 148.91 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -131.84 143.67 50.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.05 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' MET . 20.3 t -75.86 112.22 12.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -96.73 32.57 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -132.82 118.32 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 128' ' ' ARG . 0.4 OUTLIER -134.28 169.91 16.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.04 139.86 18.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -50.01 110.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.4 t -81.42 -48.15 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.08 147.33 5.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -20.84 34.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -71.08 116.96 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -59.42 146.38 40.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 p -140.73 131.24 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 p -133.04 144.55 50.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.36 113.22 2.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -88.92 81.74 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.11 138.08 43.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.59 -43.35 6.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.32 87.26 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -50.77 147.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.7 p -97.54 169.95 9.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 t -58.49 -31.71 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.36 -42.69 92.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.6 -45.71 74.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.34 -45.39 91.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.42 -45.01 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.29 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -59.53 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 57' ' ' LEU . 9.7 tp -59.97 -40.59 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -62.14 -42.01 98.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -67.05 -35.11 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 50.4 mm-40 -66.28 -49.59 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 107' ' ' LEU . 40.0 mt -65.02 -44.94 87.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.97 -45.96 79.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 33.9 t80 -68.58 -39.19 81.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.77 -34.6 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -88.45 1.28 55.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 t -61.6 157.87 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.38 -45.3 94.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 8.6 pt-20 -70.35 -43.0 71.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 11.6 t-20 -65.35 -37.73 87.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 73' ' ' ILE . 20.3 mt -66.09 -45.6 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -70.32 -25.15 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -86.28 -33.36 20.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.7 t0 -83.14 78.02 9.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.04 -33.49 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.67 -46.77 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.652 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -60.02 -42.03 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 66' ' ' LEU . 56.9 mt -63.88 -41.41 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -69.63 -26.9 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -83.1 -26.42 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.423 ' CG ' HG12 ' A' ' 82' ' ' ILE . 11.1 mtt -47.33 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 7.6 t0 -107.56 -175.05 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -61.24 -44.46 97.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.15 26.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.61 32.35 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' ASP . 13.7 m-85 -101.29 138.05 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG23 ' HD2' ' A' ' 83' ' ' PRO . 16.2 mt -111.97 136.54 21.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 137.02 34.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -65.43 -27.98 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -64.44 -40.69 96.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 4.7 m -60.91 -45.03 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG13 ' SD ' ' A' ' 90' ' ' MET . 89.3 t -77.33 -34.63 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.54 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -79.0 -21.14 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.447 ' SD ' HG13 ' A' ' 87' ' ' VAL . 8.8 mtt -45.48 131.82 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.66 -46.38 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.08 -38.81 92.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 38.5 mm -71.49 -36.78 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -70.65 -40.3 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -73.86 -30.24 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.2 mt -87.71 -29.56 21.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.579 HG23 HD23 ' A' ' 102' ' ' LEU . 31.7 m -162.09 113.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.93 33.11 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 97' ' ' THR . 5.1 t70 -126.04 130.19 24.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -45.03 1.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.05 -41.58 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 97' ' ' THR . 22.7 tp -63.96 -42.65 97.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.9 -44.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 84' ' ' ILE . 41.9 mt -60.16 -40.6 90.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.07 -43.62 91.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.515 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.8 t -61.1 -44.62 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.064 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.7 mt -65.67 -49.05 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -71.85 -16.92 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -86.87 -24.49 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.632 ' HB3' HG22 ' A' ' 113' ' ' VAL . 7.9 t -88.01 131.22 43.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -18.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.0 mtp -78.61 -12.38 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 107' ' ' LEU . 27.7 m -140.86 152.27 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -136.88 123.19 20.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 122' ' ' VAL . 38.6 t -95.67 127.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.63 138.37 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.42 -50.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.81 -43.96 81.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.88 55.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -130.11 -32.46 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -136.91 146.37 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 115' ' ' VAL . 3.0 p -128.92 146.35 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.461 ' HD2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 ptm180 -134.01 147.57 64.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.26 3.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.4 p -79.73 115.76 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -91.25 31.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -115.55 80.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -89.94 166.34 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 84.5 m -83.54 120.99 26.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.1 tt -60.5 -14.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -157.59 165.41 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.84 -165.6 36.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.421 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -26.91 26.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.6 t -95.88 156.03 16.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.4 m -112.95 167.2 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m 44.29 42.23 5.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.0 110.929 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.9 p -95.66 -48.04 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.25 72.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 t -114.71 103.83 11.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.943 0.401 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -158.9 150.34 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.61 -173.9 22.08 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.57 143.2 50.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.874 0.369 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 44' ' ' VAL . 13.1 p -101.55 120.05 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.2 m -104.62 170.22 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -58.48 -35.56 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.09 -42.99 95.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.75 -47.94 67.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.41 -45.76 90.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -37.48 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.4 m -61.41 -49.74 75.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.89 -40.97 90.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -62.82 -41.51 99.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.17 -34.94 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.21 -48.37 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.532 HD12 ' CG1' ' A' ' 106' ' ' VAL . 50.8 mt -63.06 -45.47 92.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.59 -45.98 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 16.1 t80 -64.48 -45.84 85.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.7 t -62.94 -30.87 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.81 -0.41 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -62.18 156.3 22.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.32 -45.79 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.36 -43.08 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 10.2 t-20 -64.12 -40.92 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 72' ' ' LEU . 27.2 mt -63.33 -45.74 89.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 73' ' ' ILE . 45.7 t -77.25 -15.46 59.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -91.69 -30.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -91.36 91.58 8.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.46 -43.17 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.0 -46.99 86.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -58.75 -44.58 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -62.02 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -69.56 -26.42 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -84.51 -23.6 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 66' ' ' LEU . 11.3 mtt -48.02 173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t0 -108.24 -174.97 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -65.28 -37.31 86.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 5.2 t0 -99.04 27.91 4.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 63.37 52.96 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' ASP . 22.1 m-85 -119.51 140.8 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 83' ' ' PRO . 50.7 mt -112.1 136.95 21.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.707 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.4 Cg_endo -69.65 138.94 39.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.881 HD13 HD21 ' A' ' 104' ' ' LEU . 46.8 mt -66.04 -30.45 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.596 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 4.9 p-90 -62.57 -39.97 95.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 5.8 m -63.1 -42.1 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.14 -35.49 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.08 -20.3 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' TRP . 2.4 m-80 -89.01 -14.11 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.441 ' CB ' HG12 ' A' ' 93' ' ' ILE . 7.6 mtt -56.39 131.34 48.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -54.98 -50.77 68.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -39.34 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' CB ' ' A' ' 90' ' ' MET . 29.0 mm -72.31 -33.29 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -73.44 -39.74 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.54 -29.1 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.52 -31.54 19.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 HD23 ' A' ' 102' ' ' LEU . 6.2 m -156.26 127.74 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.4 40.91 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -138.71 134.08 17.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.88 5.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.18 -42.28 89.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 106' ' ' VAL . 36.3 tp -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.38 -46.99 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.881 HD21 HD13 ' A' ' 84' ' ' ILE . 49.1 mt -57.87 -39.97 79.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 109' ' ' SER . 43.3 tt0 -66.11 -40.37 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.3 t -65.23 -43.57 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 mt -66.07 -49.15 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 13.6 ttm105 -72.19 -17.23 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 17.6 t -86.01 -25.41 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.447 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.4 m -78.06 128.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 125' ' ' SER . 36.3 mtp -93.6 -27.3 16.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 107' ' ' LEU . 15.2 m -131.01 147.84 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.0 mp0 -133.34 141.79 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.8 t -99.41 131.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 117' ' ' GLU . 10.6 t70 -44.15 138.82 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ASP . 19.4 tp10 -37.82 -52.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.08 85.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.48 60.45 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -129.46 -33.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -141.12 153.07 45.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.02 134.92 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 13.2 ptt180 -119.82 144.0 36.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.48 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.8 m -60.1 99.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -91.16 39.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -153.43 148.56 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -103.25 162.98 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.96 153.08 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.1 mt -106.26 -44.14 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -120.11 95.79 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.23 -158.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 143.11 49.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.61 2.207 . . . . 0.0 112.33 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 85.2 p -78.27 128.71 34.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.9 p -90.13 119.36 30.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -48.98 122.45 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.0 p -174.62 154.98 2.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.36 120.1 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -139.36 112.95 8.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -115.1 158.95 21.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.22 140.77 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.65 142.54 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 45' ' ' SER . 26.9 m -106.82 -44.46 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' HG23 ' A' ' 44' ' ' VAL . 5.9 t -174.18 112.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.636 ' HA ' HD12 ' A' ' 49' ' ' LEU . 39.6 m -59.21 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -60.95 -42.81 98.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.96 -35.78 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 46' ' ' THR . 19.6 mt -67.23 -46.95 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.16 -38.92 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -61.9 -47.64 84.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 10.4 tp -59.92 -41.18 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 27.4 ttpt -61.97 -40.59 96.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -67.07 -40.04 86.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.1 mm-40 -62.81 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 94.2 mt -64.88 -44.07 90.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.06 -45.98 79.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.07 -42.8 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.79 -31.35 72.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.95 -0.02 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -58.6 158.72 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -61.57 -45.89 92.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.28 -42.37 72.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -65.73 -38.32 88.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 72' ' ' LEU . 38.3 mt -65.67 -45.12 84.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -75.13 -17.65 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -94.11 -29.24 15.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -86.54 81.48 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.89 -40.36 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -59.53 -46.88 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 66' ' ' LEU . 14.2 tp -59.45 -41.31 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 66' ' ' LEU . 43.1 mt -68.43 -35.77 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.93 -27.53 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -85.77 -26.31 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 mtt -44.7 165.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' PHE . 23.1 t70 -102.58 176.69 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -56.26 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -92.57 28.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 58.84 32.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.8 m-85 -102.99 138.0 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 83' ' ' PRO . 41.3 mt -103.43 137.12 19.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.5 Cg_endo -69.65 138.5 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.533 HD13 HD21 ' A' ' 104' ' ' LEU . 82.8 mt -66.04 -31.39 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -59.32 -39.74 84.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 45.1 m -65.78 -43.97 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.19 -45.12 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.15 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -22.51 27.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.455 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.0 mtp -48.32 140.59 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.83 -50.17 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -64.07 -39.87 95.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 30.9 mm -68.99 -32.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -72.21 -45.77 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -68.73 -28.53 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 59.1 mt -86.5 -33.73 20.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 102' ' ' LEU . 96.7 m -151.26 141.54 22.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -125.69 27.71 6.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -132.17 136.79 28.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -43.38 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.255 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.96 -41.43 97.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 97' ' ' THR . 25.5 tp -63.02 -45.01 94.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.28 -44.59 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 HD13 ' A' ' 84' ' ' ILE . 26.8 mt -62.13 -36.57 82.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -64.97 -44.39 89.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 99.3 t -60.98 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.1 mt -63.24 -48.11 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -63.42 -33.1 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -75.79 -11.07 59.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -99.9 119.18 60.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.52 16.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 mtp -90.46 8.26 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 20.9 m -151.05 160.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.0 tp60 -125.07 131.8 53.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.2 127.72 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' GLY . 27.6 t70 -53.13 134.7 38.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' ASP . 73.9 mm-40 -35.66 -41.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -78.53 -41.14 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 98.92 49.92 1.55 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -110.17 -32.91 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -139.89 148.78 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 114' ' ' GLN . 4.7 p -133.05 135.87 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.531 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.4 ptt180 -129.21 151.31 77.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.99 9.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.2 p -99.96 109.68 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -111.56 37.54 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -92.88 42.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -160.64 143.78 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 73.9 m -78.22 112.26 15.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.02 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 t 58.71 46.12 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 117.92 83.67 0.94 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.423 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -3.2 11.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p 56.66 43.99 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.3 t -125.73 116.47 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.474 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.3 p -115.18 123.7 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -83.32 -62.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.88 70.07 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.559 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 m -73.73 124.83 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.3 m -124.38 164.17 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.23 -117.96 4.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.31 114.04 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.35 82.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -72.61 -38.85 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 47' ' ' GLU . 9.1 t -65.45 -41.75 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' HG23 ' A' ' 46' ' ' THR . 13.4 tt0 -67.46 -42.95 82.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 3.6 t0 -68.31 -36.8 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 96' ' ' LEU . 41.6 mt -70.66 -47.03 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -64.95 -45.05 87.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.22 -38.36 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -65.63 -50.48 64.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.95 -37.59 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.77 -44.11 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 58.2 mm-40 -64.78 -49.93 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 107' ' ' LEU . 70.5 mt -60.43 -44.97 95.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -61.57 -46.02 91.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -69.38 -35.44 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CE ' ' A' ' 90' ' ' MET . 3.2 t -67.4 -38.34 84.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CD2' HG12 ' A' ' 113' ' ' VAL . 17.3 m-85 -85.08 -0.45 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 p -59.17 154.15 16.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 26.1 mtm105 -61.54 -42.5 98.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.99 -42.72 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.45 -38.67 84.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 72' ' ' LEU . 54.2 mt -64.04 -43.96 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 41.2 t -72.91 -29.13 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -83.94 -28.17 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -86.37 77.36 9.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.0 mt -53.82 -31.04 47.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -66.19 -46.87 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 66' ' ' LEU . 13.9 tp -61.86 -40.4 95.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.611 HD11 ' O ' ' A' ' 66' ' ' LEU . 54.8 mt -66.19 -36.79 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -68.83 -32.68 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -82.28 -22.97 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.515 ' CE ' HD22 ' A' ' 66' ' ' LEU . 22.8 mtt -52.0 169.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.68 -179.09 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.9 t -57.01 -45.1 83.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' HB2' ' CD2' ' A' ' 81' ' ' PHE . 1.2 m-20 -84.59 20.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 62.96 27.77 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 4.9 m-85 -89.61 137.05 32.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 83' ' ' PRO . 51.9 mt -110.53 137.84 20.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 111.201 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.806 HD13 HD21 ' A' ' 104' ' ' LEU . 41.5 mt -59.7 -32.31 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.577 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 4.3 m -64.16 -43.81 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.19 -45.09 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.59 -18.2 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.0 -9.55 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.45 ' CB ' HG12 ' A' ' 93' ' ' ILE . 5.4 mtt -56.71 139.62 49.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.04 -50.99 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -63.34 -37.08 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.45 HG12 ' CB ' ' A' ' 90' ' ' MET . 17.1 mm -71.06 -36.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -69.6 -43.44 72.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -31.82 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 83.5 mt -79.4 -37.17 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 99' ' ' ASP . 35.9 m -165.85 144.19 5.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.7 p -117.26 22.48 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.833 ' H ' HG22 ' A' ' 97' ' ' THR . 2.4 t70 -102.4 121.99 48.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.84 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -64.15 -41.87 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 97' ' ' THR . 28.8 tp -63.05 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.98 -48.46 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.806 HD21 HD13 ' A' ' 84' ' ' ILE . 24.4 mt -61.7 -38.23 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.37 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 57' ' ' LEU . 75.3 t -61.8 -44.07 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 57' ' ' LEU . 36.8 mt -64.02 -49.07 73.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -68.89 -16.94 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -87.18 -20.13 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 m -96.47 132.96 25.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -32.04 19.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.76 2.307 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.4 mtp -60.25 -23.34 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 107' ' ' LEU . 20.5 m -129.65 149.58 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.58 129.09 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 122' ' ' VAL . 58.8 t -97.44 128.22 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -48.26 146.82 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -44.36 -50.73 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -59.41 -43.23 93.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.35 51.46 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -123.23 -21.97 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -148.13 155.77 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 115' ' ' VAL . 1.6 p -134.95 144.7 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.6 ptp180 -131.41 147.53 66.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.91 109.76 2.42 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.4 p -39.98 125.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -96.45 18.88 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.88 120.4 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -37.94 115.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 35.8 m -153.81 140.92 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 27.8 mm -135.35 136.6 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.5 p -110.06 168.49 9.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.95 22.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -7.23 20.55 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.3 m -63.29 130.09 43.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.8 p -60.65 -178.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -165.5 165.32 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.77 176.39 2.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.48 -116.36 0.49 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t 47.32 42.27 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -101.08 -52.35 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.77 -171.21 23.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.2 38.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.39 152.6 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -129.03 -63.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -59.54 -39.29 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -65.44 -40.73 93.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.4 -34.32 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -73.54 -43.74 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -45.11 91.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.56 -42.33 95.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -58.91 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.008 HD23 HG21 ' A' ' 106' ' ' VAL . 12.6 tp -60.02 -40.78 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 110' ' ' SER . 48.4 tttp -62.64 -41.12 98.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.12 -37.85 84.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 8.7 mm-40 -62.13 -50.08 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.13 -45.61 92.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -70.97 -38.55 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.98 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.1 m-85 -77.55 5.39 9.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -63.67 153.66 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.8 -44.11 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.11 -40.12 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -66.92 -42.03 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.731 ' O ' HD11 ' A' ' 73' ' ' ILE . 54.5 mt -64.3 -41.06 97.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -73.34 -36.75 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -78.07 -24.02 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.97 81.58 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.7 mt -57.82 -37.56 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.19 -46.87 88.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.677 HD23 HD23 ' A' ' 66' ' ' LEU . 14.5 tp -58.58 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 66' ' ' LEU . 59.2 mt -62.69 -36.79 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -69.53 -27.38 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -82.38 -26.94 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.551 ' CE ' HD22 ' A' ' 66' ' ' LEU . 26.3 mtt -57.65 162.86 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -102.44 174.61 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.3 p -50.88 -32.43 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.56 23.67 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 52.03 46.59 26.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.484 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 13.4 m-85 -115.07 137.07 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 6.8 mt -102.73 135.29 19.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.71 137.25 35.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.57 -30.45 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.94 -41.49 96.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.448 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 97.8 m -68.33 -39.97 81.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.8 t -71.58 -35.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.19 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.53 -10.31 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.4 mtt -58.89 137.2 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -49.77 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.414 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 35.4 mm -66.43 -29.85 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 98' ' ' THR . 20.9 mtpp -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -27.6 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 93.0 mt -90.96 -30.44 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.561 ' OG1' HD22 ' A' ' 53' ' ' LEU . 22.2 m -149.23 131.5 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 94' ' ' LYS . 5.1 p -124.4 28.32 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.9 137.92 29.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.71 3.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -63.03 -42.65 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -62.99 -42.19 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.506 HG13 HG21 ' A' ' 97' ' ' THR . 63.3 mt -61.11 -45.72 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -43.58 98.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 1.008 HG21 HD23 ' A' ' 53' ' ' LEU . 98.3 t -63.09 -49.69 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 122' ' ' VAL . 31.5 mt -61.71 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -66.74 -26.2 66.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 t -86.33 -25.34 25.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.501 ' O ' HG22 ' A' ' 113' ' ' VAL . 2.4 t -81.88 116.63 64.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.734 0.778 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -18.85 36.19 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtp -78.5 10.09 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 110' ' ' SER . 34.0 m -144.38 159.94 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 122' ' ' VAL . 17.3 tt0 -130.63 129.12 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.22 133.63 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.53 144.11 55.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -38.46 -44.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.37 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.98 -26.48 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -140.01 151.28 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.576 HG21 HD22 ' A' ' 107' ' ' LEU . 6.6 p -135.84 137.75 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 10.5 ptm180 -127.47 150.14 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 110.77 2.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.757 2.305 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -79.06 94.48 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -83.91 41.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.43 -41.78 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 41.02 40.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 14.2 m -124.96 116.7 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.3 mt -70.01 88.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.1 p -143.54 157.01 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.52 76.9 0.76 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 93.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 95.0 p -108.33 102.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.5 p -107.72 83.28 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 p -57.15 127.77 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -83.56 -56.56 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.79 135.35 5.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.5 t -77.33 121.64 24.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -92.56 -48.68 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.18 -43.53 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.56 123.31 26.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -81.85 139.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -120.76 172.68 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 t -58.81 -35.24 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.46 -40.2 90.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.97 -47.45 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.1 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -64.56 -44.86 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -62.61 -44.54 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -58.23 -48.3 80.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 106' ' ' VAL . 11.4 tp -59.97 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -61.65 -46.03 91.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.5 -37.15 86.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 65.0 mm-40 -63.52 -49.36 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' HG ' ' A' ' 107' ' ' LEU . 74.2 mt -65.02 -44.64 88.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.68 -46.01 87.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -71.46 -35.76 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.1 m -67.89 -31.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.767 ' CE2' HD12 ' A' ' 82' ' ' ILE . 12.0 m-85 -95.4 4.45 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -61.52 153.1 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.83 -44.3 94.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.0 -43.58 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.26 -38.91 92.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 72' ' ' LEU . 43.2 mt -64.28 -45.14 89.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.6 t -69.02 -25.79 64.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -86.61 -31.96 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 32.3 t0 -84.91 79.24 9.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -53.72 -37.42 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.84 -47.02 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -60.42 -39.45 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 66' ' ' LEU . 55.2 mt -65.17 -40.22 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.05 -28.11 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -82.39 -26.35 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 mtt -46.21 168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.22 -174.75 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 34.2 t -65.24 -49.37 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.4 t0 -85.69 24.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 78' ' ' SER . 13.1 mp0 63.69 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 24.2 m-85 -122.82 137.62 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 61' ' ' PHE . 32.7 mt -110.02 136.71 20.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.81 141.03 43.95 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.635 2.223 . . . . 0.0 112.324 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.085 HD13 HD21 ' A' ' 104' ' ' LEU . 57.3 mt -64.96 -29.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD2' ' N ' ' A' ' 86' ' ' THR . 2.2 p-90 -60.63 -44.65 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 8.4 m -63.15 -35.09 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.184 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.12 -45.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.71 -20.3 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.0 -13.89 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.2 mtt -53.92 133.93 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -57.81 -50.23 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.51 -30.32 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.48 -44.22 62.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -69.01 -28.23 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 46.4 mt -85.13 -36.24 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 99' ' ' ASP . 31.0 m -159.59 135.1 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -119.6 32.13 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.603 ' H ' HG22 ' A' ' 97' ' ' THR . 16.4 t0 -119.32 131.36 24.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.526 0.679 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -45.05 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -64.5 -39.37 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.499 HD23 ' CG2' ' A' ' 97' ' ' THR . 22.4 tp -66.24 -48.04 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.79 -51.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 84' ' ' ILE . 45.0 mt -56.85 -37.73 71.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.73 -44.42 96.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.727 HG21 HD23 ' A' ' 53' ' ' LEU . 84.7 t -61.69 -44.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 57' ' ' LEU . 43.9 mt -65.4 -40.96 94.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.45 -32.12 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 p -80.71 -27.95 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -79.77 129.3 71.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.737 0.779 . . . . 0.0 110.815 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.0 Cg_endo -69.75 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.0 mtp -39.93 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 107' ' ' LEU . 5.0 m -130.44 160.68 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -143.37 128.04 18.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 119' ' ' GLY . 12.8 t -97.98 132.99 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 119' ' ' GLY . 7.9 m-20 -55.21 139.36 42.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 116' ' ' ASP . 7.0 mm-40 -35.77 -48.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -59.96 -46.94 87.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.66 44.81 2.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -114.15 -28.48 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -144.26 149.96 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.07 134.96 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 9.7 ptt180 -123.57 146.08 48.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 107.77 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 m -57.28 100.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -58.33 -42.12 86.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -81.0 113.44 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -88.99 88.25 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 11.3 t -99.11 88.49 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.4 tp -91.64 132.06 37.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m -100.46 94.78 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.4 -173.23 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.47 3.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 135' ' ' SER . 95.3 p -55.68 134.03 51.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.9 m 36.31 45.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.54 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.4 p -115.82 -56.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.1 p 49.62 39.43 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.35 -80.62 1.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.555 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t 61.96 35.91 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -113.3 155.42 25.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.31 -127.8 4.56 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.51 120.79 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 44' ' ' VAL . 32.5 m -119.84 126.61 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 m -101.7 -49.02 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 47' ' ' GLU . 10.2 t -65.79 -40.49 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 46' ' ' THR . 71.8 mm-40 -64.89 -42.79 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.81 -44.93 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.76 -43.16 97.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -64.29 -44.41 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.4 -40.53 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.0 m -62.65 -47.41 83.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 106' ' ' VAL . 9.7 tp -59.9 -41.49 91.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.37 -40.92 98.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -67.13 -35.85 80.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 21.0 mm-40 -69.17 -46.29 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 107' ' ' LEU . 46.5 mt -64.72 -45.46 86.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -66.26 -45.89 78.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CE2' ' ND2' ' A' ' 65' ' ' ASN . 87.3 t80 -68.68 -37.77 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 m -66.47 -34.86 78.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.631 ' CD2' HG11 ' A' ' 113' ' ' VAL . 11.8 m-85 -91.06 5.96 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -65.89 154.52 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -60.23 -46.01 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.45 -43.96 72.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.694 ' ND2' ' CE2' ' A' ' 59' ' ' PHE . 11.6 t-20 -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.981 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 72' ' ' LEU . 34.5 mt -62.09 -46.07 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -28.16 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -90.58 -9.38 47.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 20.5 t0 -104.21 74.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.789 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.1 -40.82 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -58.12 -45.73 86.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.59 -48.83 79.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.07 -29.81 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -65.19 -41.56 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.505 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -82.01 -26.13 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 75' ' ' GLN . 18.2 mtt -43.6 151.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.79 176.9 6.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 m -62.53 -30.4 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.04 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 62.96 29.74 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 11.9 m-85 -103.17 138.73 39.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.494 HG23 ' NE2' ' A' ' 75' ' ' GLN . 30.6 mt -115.97 136.5 22.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.51 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.73 142.87 49.22 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.614 HD13 HD21 ' A' ' 104' ' ' LEU . 61.9 mt -65.63 -28.26 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.593 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.5 p-90 -62.71 -45.76 91.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 15.8 m -61.42 -38.53 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.71 -40.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.05 -16.76 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -89.22 -14.38 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.7 mtt -53.64 135.48 40.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -57.08 -49.25 76.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -44.61 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.81 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.6 mm -68.29 -32.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -75.48 -41.4 55.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -26.86 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 42.5 mt -84.32 -37.02 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.818 HG22 ' H ' ' A' ' 99' ' ' ASP . 82.8 m -166.11 144.14 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.4 24.65 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.818 ' H ' HG22 ' A' ' 97' ' ' THR . 10.9 t0 -104.03 120.85 49.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -39.54 6.35 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.91 -42.87 99.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 97' ' ' THR . 27.0 tp -63.0 -41.61 99.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.94 -49.66 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 84' ' ' ILE . 19.9 mt -59.77 -38.32 81.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.53 -43.0 91.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 102' ' ' LEU . 93.6 t -66.96 -44.72 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 HG21 ' A' ' 113' ' ' VAL . 28.2 mt -63.08 -49.04 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -18.68 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.4 t -85.07 -26.97 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -90.28 133.2 33.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -31.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.6 mtp -57.93 -26.01 61.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.704 HG21 HD23 ' A' ' 107' ' ' LEU . 25.4 m -130.14 150.13 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.0 129.75 40.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.413 HG12 ' HA2' ' A' ' 119' ' ' GLY . 21.3 t -98.72 130.68 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.4 t0 -56.82 142.92 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.5 mm-40 -36.58 -51.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -58.27 -48.99 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.6 44.68 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -116.92 -15.77 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -151.72 149.04 28.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.594 HG21 HD22 ' A' ' 107' ' ' LEU . 3.2 p -126.42 146.63 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 16.7 ptt180 -135.44 143.93 47.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 112.1 2.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -63.92 106.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -89.14 32.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -109.55 84.25 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -48.92 108.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 8.2 t -160.48 133.78 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.1 tt -154.73 136.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.2 p -91.17 -19.64 22.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.77 82.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 115.59 4.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.7 t 41.2 41.27 1.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.8 t -79.48 127.46 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 t -77.77 107.42 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -72.89 -45.04 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.61 -164.53 12.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -164.57 129.9 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -65.83 154.45 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.67 177.62 37.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.29 43.9 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.47 164.2 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -144.82 178.47 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 t -62.47 -30.93 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.18 -41.14 97.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.61 -45.76 67.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.39 -45.25 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -63.54 -44.93 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -42.73 99.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.57 -46.29 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 HG21 ' A' ' 106' ' ' VAL . 10.8 tp -60.12 -40.92 91.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -62.82 -40.37 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -67.06 -39.57 86.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 23.5 mm-40 -66.31 -42.86 87.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' A' ' 107' ' ' LEU . 69.8 mt -65.04 -45.4 85.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.17 -45.96 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.475 ' CE1' ' ND2' ' A' ' 65' ' ' ASN . 39.5 t80 -65.39 -49.45 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 14.5 m -59.69 -30.64 68.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 82' ' ' ILE . 13.5 m-85 -93.44 3.89 54.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 t -66.82 156.01 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -45.43 92.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.02 -39.93 83.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.475 ' ND2' ' CE1' ' A' ' 59' ' ' PHE . 19.6 t-20 -68.02 -39.63 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 72' ' ' LEU . 61.6 mt -64.18 -44.73 91.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -69.85 -38.1 76.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -76.39 -30.05 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 38.1 t0 -86.51 78.61 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -53.32 -36.48 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -62.05 -46.79 87.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.2 -40.25 89.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.04 -42.47 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -66.19 -31.57 72.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -83.89 -24.08 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CG ' HG12 ' A' ' 82' ' ' ILE . 30.1 mtp -62.64 170.22 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -105.02 -176.42 3.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.3 m -65.54 -43.74 89.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 23.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.38 47.77 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -109.94 138.95 45.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.583 HG23 ' HD2' ' A' ' 83' ' ' PRO . 62.3 mt -118.6 137.46 24.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.8 138.59 38.07 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.772 ' CD1' HD21 ' A' ' 104' ' ' LEU . 70.0 mt -65.66 -29.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.5 p-90 -63.13 -38.7 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -66.65 -45.02 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.96 -45.15 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.32 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -20.99 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtp -47.38 133.82 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.53 -48.69 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.06 -46.07 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.5 mm -60.39 -40.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -67.31 -38.89 85.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -65.63 -30.94 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 94.9 mt -85.74 -37.04 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.827 HG22 ' H ' ' A' ' 99' ' ' ASP . 51.6 m -166.02 143.8 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -114.31 26.53 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.827 ' H ' HG22 ' A' ' 97' ' ' THR . 8.5 t0 -110.02 120.56 44.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -38.01 8.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.56 -42.35 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 97' ' ' THR . 32.4 tp -63.05 -42.7 99.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.77 -45.88 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.93 HD22 HG11 ' A' ' 115' ' ' VAL . 35.0 mt -62.79 -36.33 82.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.14 -39.84 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.3 t -67.7 -46.26 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.83 ' CD2' HG21 ' A' ' 113' ' ' VAL . 32.4 mt -65.52 -47.36 76.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -68.27 -28.59 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.7 t -76.38 -23.49 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 113' ' ' VAL . 2.4 p -93.04 137.2 23.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -31.49 20.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 37.3 mtp -54.34 -34.54 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CD2' ' A' ' 107' ' ' LEU . 19.5 m -129.09 163.99 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.733 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.3 tm0? -140.93 132.95 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.93 HG11 HD22 ' A' ' 104' ' ' LEU . 45.3 t -100.62 119.14 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' VAL . 13.5 t70 -37.52 145.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -53.77 -20.0 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -88.53 -35.11 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.74 45.59 5.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -119.03 -30.91 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -145.47 144.85 30.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.0 p -125.12 137.91 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -125.85 144.65 49.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 123.13 9.78 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -74.89 87.8 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 126' ' ' HIS . 32.9 p-80 -89.42 42.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.53 128.6 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -66.21 132.02 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.55 174.25 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 131' ' ' SER . 15.1 tt -170.36 160.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 130' ' ' ILE . 3.8 m -126.83 141.42 51.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.31 79.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -43.18 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.731 2.288 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 62.4 p -40.04 118.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.8 m -65.57 167.21 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.86 -36.56 72.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.02 -44.68 79.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -64.98 -43.21 93.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.19 -44.98 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 53' ' ' LEU . 8.9 tp -60.18 -41.14 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -63.04 -40.31 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -67.01 -36.3 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.1 mm-40 -64.11 -49.78 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' A' ' 107' ' ' LEU . 98.6 mt -64.86 -44.35 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -64.59 -45.77 85.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 13.5 t80 -67.72 -42.01 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 m -62.71 -31.83 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD2' HG12 ' A' ' 113' ' ' VAL . 12.2 m-85 -93.85 0.49 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -60.24 157.12 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.53 -45.59 93.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.54 -43.75 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.4 t30 -65.41 -39.03 91.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.68 ' O ' HD11 ' A' ' 73' ' ' ILE . 34.9 mt -63.41 -44.78 93.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 31.0 t -77.41 -16.66 58.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -90.29 -30.11 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -91.69 85.37 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.68 -32.81 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.96 -45.77 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.11 -44.59 87.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 66' ' ' LEU . 44.3 mt -64.77 -38.6 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -68.13 -27.14 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -83.87 -26.5 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.471 ' HE3' HD11 ' A' ' 82' ' ' ILE . 13.7 mtt -47.88 172.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.9 t0 -105.12 -175.49 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 -38.31 84.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -92.6 33.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 54.02 49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.1 m-85 -121.42 137.31 54.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 83' ' ' PRO . 47.7 mt -107.45 138.11 19.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.0 Cg_endo -69.78 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.805 HD13 HD21 ' A' ' 104' ' ' LEU . 44.9 mt -60.85 -31.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.9 p-90 -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.423 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 3.6 m -62.09 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 57' ' ' LEU . 95.4 t -72.03 -40.34 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -18.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.01 -14.71 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 mtt -53.34 136.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.96 -51.34 70.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.29 -42.18 90.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.26 -31.24 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -73.35 -40.09 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -73.1 -29.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 82.8 mt -83.53 -34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 99' ' ' ASP . 30.7 m -155.52 138.58 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -118.06 16.42 14.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.71 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -115.27 130.69 24.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -40.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 106' ' ' VAL . 21.4 tp -64.85 -46.6 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.22 -46.2 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.805 HD21 HD13 ' A' ' 84' ' ' ILE . 30.3 mt -58.34 -40.69 82.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.9 tt0 -63.82 -41.34 97.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 102' ' ' LEU . 78.8 t -62.56 -44.15 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.3 mt -66.01 -48.87 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.49 -24.57 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 16.9 m -76.42 -27.43 56.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -95.66 141.4 23.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PRO . 46.8 mtp -36.25 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD23 ' A' ' 107' ' ' LEU . 33.5 m -127.96 161.18 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.3 tt0 -144.03 125.3 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.411 HG12 ' HA2' ' A' ' 119' ' ' GLY . 39.7 t -100.06 127.73 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.8 t70 -44.99 134.86 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ASP . 36.4 mt-10 -35.69 -44.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -68.82 -46.9 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 102.58 61.58 0.72 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -130.22 -32.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -139.81 146.68 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.8 p -130.26 139.79 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.9 ptt180 -131.2 144.6 54.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 115.26 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.19 -43.06 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.06 -46.05 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.86 -39.12 87.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.1 m -67.73 -50.17 58.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.48 HD23 HG21 ' A' ' 106' ' ' VAL . 8.3 tp -60.06 -40.28 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -62.6 -41.96 99.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.933 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -67.17 -35.04 78.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.561 HE21 HD11 ' A' ' 96' ' ' LEU . 25.8 mm-40 -65.5 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.809 HD22 HD21 ' A' ' 107' ' ' LEU . 63.8 mt -64.08 -45.79 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.34 -45.91 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 64.7 t80 -66.9 -39.48 87.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.435 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.7 m -65.8 -33.35 75.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.9 m-85 -89.98 1.22 56.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 t -61.33 154.21 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -61.22 -45.84 92.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -70.43 -41.73 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 t30 -63.84 -42.54 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 72' ' ' LEU . 55.7 mt -64.49 -45.47 87.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -62.72 -34.18 76.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -82.54 -27.89 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.67 85.29 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.61 -32.61 71.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.06 -46.54 74.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 66' ' ' LEU . 12.5 tp -60.28 -41.97 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -66.86 -35.84 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -69.25 -29.69 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -84.78 -25.6 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.872 ' HE1' HD13 ' A' ' 66' ' ' LEU . 26.2 mtt -47.5 171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.17 -175.12 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.9 m -63.78 -39.29 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 30.06 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 56.72 44.19 24.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 123' ' ' ARG . 22.8 m-85 -111.45 138.75 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 61' ' ' PHE . 25.6 mt -113.4 136.64 21.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.2 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' ' 104' ' ' LEU . 65.5 mt -65.84 -30.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.473 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 6.5 m -64.18 -43.17 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.0 t -72.02 -36.62 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.93 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -83.98 -22.03 31.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.426 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.3 mtt -46.56 134.97 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.59 -51.33 70.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.89 -44.41 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.426 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -62.56 -35.89 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 98' ' ' THR . 43.9 mtpt -70.2 -45.9 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.34 -28.02 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.561 HD11 HE21 ' A' ' 56' ' ' GLN . 86.1 mt -91.47 -33.23 15.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.641 HG23 HD23 ' A' ' 102' ' ' LEU . 16.1 m -156.02 131.87 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 94' ' ' LYS . 54.2 p -123.72 41.21 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -137.63 137.13 21.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.92 -38.18 87.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.641 HD23 HG23 ' A' ' 97' ' ' THR . 15.9 tp -63.46 -47.64 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.56 -48.7 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.461 HD21 HD13 ' A' ' 84' ' ' ILE . 22.3 mt -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.46 -41.25 96.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 95.4 t -64.85 -46.6 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.809 HD21 HD22 ' A' ' 57' ' ' LEU . 39.8 mt -61.11 -49.02 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 115' ' ' VAL . 58.6 mtt180 -70.14 -22.33 63.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -79.49 -28.06 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -94.09 134.41 25.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.68 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.778 2.319 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.7 mtp -39.43 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' PRO . 11.6 m -128.44 160.28 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -144.07 129.43 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 108' ' ' ARG . 18.3 t -98.41 132.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.73 158.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.79 -28.56 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -77.76 -45.6 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.36 53.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.01 -34.36 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -136.89 150.67 48.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.561 HG21 HD22 ' A' ' 107' ' ' LEU . 7.8 p -127.31 140.28 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 81' ' ' PHE . 8.2 ptm180 -128.08 146.86 60.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 106.76 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.759 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 -46.53 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.77 -44.64 95.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.25 -44.25 92.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.51 -40.23 90.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.98 -49.88 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.784 HD23 HG21 ' A' ' 106' ' ' VAL . 13.3 tp -59.91 -41.18 91.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -62.92 -40.82 98.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.8 mm100 -67.53 -48.73 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' HG ' ' A' ' 107' ' ' LEU . 96.9 mt -65.02 -43.98 90.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -45.62 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.35 -39.22 78.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 m -66.61 -30.25 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -90.29 -0.17 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.1 p -65.95 157.38 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.12 -36.73 80.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.87 -43.87 74.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 4.2 t30 -71.61 -36.67 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.83 ' O ' HD11 ' A' ' 73' ' ' ILE . 67.8 mt -64.26 -38.88 92.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -79.89 -27.24 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -89.46 -13.67 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 34.8 t0 -102.18 79.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.7 -33.42 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -64.36 -46.96 81.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.766 HD23 HD23 ' A' ' 66' ' ' LEU . 12.2 tp -59.81 -44.09 94.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.978 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.83 HD11 ' O ' ' A' ' 66' ' ' LEU . 65.3 mt -65.54 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.79 -30.35 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.16 -26.96 32.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 82' ' ' ILE . 19.8 mtt -52.56 160.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 20.3 p30 -105.85 176.9 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -56.84 -26.99 59.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 2.1 m-20 -91.21 26.09 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 8.3 mm-40 45.04 27.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 10.8 m-85 -104.39 137.75 41.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 83' ' ' PRO . 72.0 mt -103.53 138.54 19.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 82' ' ' ILE . 52.6 Cg_endo -69.87 135.9 31.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 104' ' ' LEU . 49.2 mt -62.87 -32.62 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.549 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -60.08 -37.96 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -65.18 -44.9 86.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.27 -45.09 97.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -21.9 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.69 -17.21 42.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.2 mtt -50.06 135.51 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -57.67 -49.87 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.69 -46.0 87.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -60.88 -35.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -69.71 -40.37 76.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -66.95 -29.77 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mt -88.1 -36.93 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 99' ' ' ASP . 37.7 m -158.24 131.69 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.99 28.78 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.617 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -120.28 133.4 23.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.82 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.576 HD23 ' CG2' ' A' ' 97' ' ' THR . 25.7 tp -63.84 -45.68 88.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.58 -43.62 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 84' ' ' ILE . 33.0 mt -61.53 -35.93 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.994 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 HD23 ' A' ' 53' ' ' LEU . 90.0 t -60.38 -44.28 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.737 HD23 HG21 ' A' ' 113' ' ' VAL . 27.1 mt -65.95 -48.03 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -71.25 -21.54 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.7 t -85.81 -21.55 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.418 ' HB3' HG22 ' A' ' 113' ' ' VAL . 2.9 t -96.31 134.53 23.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.738 . . . . 0.0 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.87 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 mtp -39.92 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 HD23 ' A' ' 107' ' ' LEU . 18.6 m -128.64 157.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -145.04 124.54 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.517 HG12 ' HA2' ' A' ' 119' ' ' GLY . 16.2 t -96.07 134.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -42.01 143.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -43.24 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -72.05 -44.6 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.517 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.51 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -118.98 -29.29 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -140.17 149.42 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.581 HG21 HD22 ' A' ' 107' ' ' LEU . 4.8 p -130.3 144.38 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 9.0 ptm180 -138.52 146.11 49.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.73 2.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 -179.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -33.33 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.61 -46.21 59.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.96 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.52 -42.94 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.49 -47.74 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.405 HD11 HD11 ' A' ' 57' ' ' LEU . 11.3 tp -60.01 -39.76 86.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.21 -42.52 99.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -66.99 -35.22 79.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 34.3 mm-40 -67.41 -48.56 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.965 HD13 ' HG ' ' A' ' 107' ' ' LEU . 86.5 mt -64.7 -44.38 90.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.56 -45.84 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 65.4 t80 -65.98 -47.66 73.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 50.6 m -57.49 -39.19 75.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.86 0.85 45.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -61.16 153.67 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 5.5 mmm180 -58.31 -45.74 87.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -70.89 -43.83 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -62.45 -38.8 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 73' ' ' ILE . 29.5 mt -66.61 -45.39 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -66.6 -25.27 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -90.82 -27.93 18.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -89.5 76.58 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.8 -31.39 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.53 -46.74 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.91 -42.47 98.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.859 HD11 ' O ' ' A' ' 66' ' ' LEU . 53.6 mt -65.86 -37.8 80.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -69.85 -27.96 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -82.12 -26.82 33.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.9 mtt -47.74 174.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -107.73 -175.95 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -64.64 -40.06 94.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.73 33.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.32 43.31 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ASP . 11.6 m-85 -116.1 139.26 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 83' ' ' PRO . 53.5 mt -109.97 137.36 20.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.674 0.749 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.1 Cg_endo -69.73 136.53 33.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.946 HD13 HD21 ' A' ' 104' ' ' LEU . 63.4 mt -63.16 -31.95 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.526 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.1 p-90 -60.8 -40.46 92.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 7.9 m -62.6 -43.81 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.95 -36.85 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.81 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -84.88 -13.24 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.6 mtt -57.3 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.12 77.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 56' ' ' GLN . 16.2 pt-20 -63.86 -44.76 92.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.1 mm -67.69 -32.98 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -73.71 -41.13 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -71.36 -25.31 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 81.0 mt -94.48 -28.38 15.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.725 HG23 HD23 ' A' ' 102' ' ' LEU . 30.8 m -156.75 133.73 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 p -117.03 34.91 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.633 ' H ' HG22 ' A' ' 97' ' ' THR . 1.9 t70 -136.28 134.91 20.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.807 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -43.2 2.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.554 2.169 . . . . 0.0 112.385 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.62 -41.06 98.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.725 HD23 HG23 ' A' ' 97' ' ' THR . 22.2 tp -63.21 -46.76 85.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.15 -51.05 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.946 HD21 HD13 ' A' ' 84' ' ' ILE . 69.7 mt -58.9 -39.71 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.87 -44.7 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 102' ' ' LEU . 61.9 t -61.7 -53.24 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.965 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.7 mt -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.62 -29.99 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.9 t -75.85 -22.89 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.9 t -91.91 137.5 25.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.714 0.769 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.74 -46.92 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.6 mtp -39.91 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 107' ' ' LEU . 29.5 m -137.68 166.72 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -140.76 132.81 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 104' ' ' LEU . 59.1 t -108.0 120.61 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.5 t70 -39.88 134.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 30.2 mm-40 -37.93 -47.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.01 -50.06 74.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.67 47.82 1.74 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.85 -35.05 5.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.46 153.59 48.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 107' ' ' LEU . 3.7 p -132.94 144.68 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HD3' ' CE2' ' A' ' 81' ' ' PHE . 13.3 ptt85 -145.56 149.35 40.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.693 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 152.01 69.56 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.872 0.367 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.9 -33.86 74.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.86 -45.74 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -63.62 -44.94 92.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.09 -44.98 94.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 74.5 m -59.88 -42.28 93.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD23 HG21 ' A' ' 106' ' ' VAL . 10.3 tp -59.92 -42.99 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -62.56 -38.99 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 52' ' ' CYS . 7.7 mtmp? -66.9 -38.37 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.406 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 39.5 mm-40 -70.12 -42.96 71.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.877 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.8 mt -64.99 -43.56 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.77 -45.6 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 4.6 t80 -70.39 -37.06 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.472 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 17.0 m -68.03 -31.04 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -94.99 3.83 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 153.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.74 -43.65 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 4.3 t30 -63.65 -42.98 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 72' ' ' LEU . 62.0 mt -62.35 -44.94 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 73' ' ' ILE . 10.0 t -65.86 -34.6 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -33.97 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.09 77.99 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -53.25 -32.0 46.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -66.43 -46.84 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 66' ' ' LEU . 13.2 tp -59.71 -41.65 91.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 67' ' ' SER . 9.4 mt -65.05 -38.59 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -68.69 -28.42 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.01 -24.88 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 mtt -48.37 177.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -112.6 -176.43 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.9 m -64.55 -42.94 95.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -88.98 31.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 56.17 48.22 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 23.9 m-85 -118.41 137.36 53.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.492 HG23 ' HD2' ' A' ' 83' ' ' PRO . 17.2 mt -106.59 136.57 19.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.631 0.729 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.594 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.7 Cg_endo -69.76 135.91 31.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 0.0 112.421 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 104' ' ' LEU . 46.6 mt -65.27 -33.58 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.4 p-90 -58.97 -36.98 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.6 m -63.9 -42.72 97.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.05 -34.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.61 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 1.4 p30 -81.82 -26.37 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 10.2 mtt -40.08 132.58 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.22 -50.3 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.45 -37.53 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.488 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 44.0 mm -72.54 -33.16 44.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CD ' ' O ' ' A' ' 89' ' ' ASN . 37.0 mtpt -73.29 -41.74 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -71.78 -29.61 64.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 85.7 mt -89.08 -34.25 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.692 HG23 HD23 ' A' ' 102' ' ' LEU . 21.4 m -145.02 132.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.1 p -120.09 39.81 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 97' ' ' THR . 2.2 t70 -148.44 138.26 12.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.521 0.677 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -44.69 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.593 2.196 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.18 -39.13 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.692 HD23 HG23 ' A' ' 97' ' ' THR . 20.7 tp -62.91 -47.15 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.502 HG13 HG21 ' A' ' 97' ' ' THR . 70.9 mt -62.79 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 84' ' ' ILE . 22.7 mt -63.03 -35.95 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.93 -44.32 89.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.66 HG21 HD23 ' A' ' 53' ' ' LEU . 71.9 t -61.45 -48.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.877 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.0 mt -65.94 -44.01 86.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -72.01 -23.95 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 t -81.9 -23.59 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -94.16 132.27 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -40.88 4.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.8 mtp -42.02 -27.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 107' ' ' LEU . 19.3 m -133.29 165.33 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.541 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.8 tp-100 -134.7 131.62 37.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 122' ' ' VAL . 91.2 t -94.93 123.35 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 17.6 t70 -38.42 140.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.13 -69.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -51.18 -44.32 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 105.74 40.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -112.85 -27.49 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 28.3 mtmt -138.16 154.57 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 115' ' ' VAL . 73.5 t -135.51 140.48 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 17.0 ptt180 -135.07 143.82 47.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.05 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.4 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 10.2 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.853 0.359 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.5 m-20 -71.89 -34.94 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.05 -41.31 61.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.95 -40.66 95.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 26.3 pt-20 -68.99 -44.81 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' HD22 ' A' ' 96' ' ' LEU . 9.5 p -62.24 -46.8 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 57' ' ' LEU . 11.1 tp -65.56 -40.73 93.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HA ' HG11 ' A' ' 106' ' ' VAL . 13.6 ttmm -62.89 -38.92 92.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -67.11 -39.03 86.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.444 HE21 HD11 ' A' ' 96' ' ' LEU . 22.5 mm-40 -67.38 -46.86 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.7 mt -65.07 -45.86 83.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.421 ' CD ' ' HG2' ' A' ' 54' ' ' LYS . 83.3 mt-10 -66.9 -45.84 76.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -67.24 -39.86 86.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 m -62.77 -38.23 89.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 82' ' ' ILE . 11.7 m-85 -85.97 5.03 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -68.15 156.24 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -59.81 -43.53 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -67.75 -42.92 81.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -39.1 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 72' ' ' LEU . 50.8 mt -62.62 -43.96 97.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 73' ' ' ILE . 42.5 t -82.74 -23.12 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -18.07 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -103.44 83.88 2.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -55.5 -34.81 64.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -62.86 -46.92 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -60.54 -41.69 95.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 ' O ' ' A' ' 66' ' ' LEU . 83.3 mt -63.98 -37.21 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.5 t -69.72 -30.87 68.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -83.09 -23.29 33.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.453 ' CG ' HG12 ' A' ' 82' ' ' ILE . 36.0 mtp -69.44 150.6 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.52 175.3 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -58.44 -28.02 64.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -82.39 8.61 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 58.1 33.42 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.8 m-85 -110.39 141.18 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 61' ' ' PHE . 40.4 mt -113.3 136.78 21.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.5 Cg_endo -69.83 134.72 28.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.861 HD13 HD21 ' A' ' 104' ' ' LEU . 73.4 mt -59.45 -31.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.58 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.37 -43.34 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.529 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 9.0 m -63.46 -42.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.55 -45.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -16.99 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -15.49 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.6 mtt -54.27 135.94 43.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.15 -46.64 82.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.02 -44.59 88.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.93 -31.45 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.87 -41.88 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.87 -26.48 61.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.635 HD22 ' SG ' ' A' ' 52' ' ' CYS . 28.4 mt -88.4 -36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 99' ' ' ASP . 16.6 m -149.62 134.6 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -116.0 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 97' ' ' THR . 1.5 t70 -140.1 127.9 12.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.502 0.668 . . . . 0.0 110.95 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -39.93 5.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -62.0 -44.06 97.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 106' ' ' VAL . 26.6 tp -63.31 -46.46 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.439 ' HA ' HD21 ' A' ' 53' ' ' LEU . 52.4 mt -61.74 -44.62 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 84' ' ' ILE . 25.8 mt -62.83 -37.31 86.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 109' ' ' SER . 34.8 tt0 -64.18 -41.81 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 87.7 t -63.55 -44.91 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.3 mt -65.95 -48.91 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -31.73 70.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 30.9 m -71.93 -23.87 61.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -98.86 138.92 20.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.5 Cg_endo -69.74 -50.85 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' PRO . 34.0 mtp -34.9 -32.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' LEU . 30.9 m -128.1 154.24 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -131.17 132.99 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.42 125.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.7 t0 -39.95 128.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' ASP . 11.4 pt-20 -34.48 -48.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -64.37 -48.28 76.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 105.88 56.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -127.48 -32.66 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -138.71 150.75 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 107' ' ' LEU . 1.6 p -126.98 138.42 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 22.4 ptt85 -132.81 145.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.79 10.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.891 0.377 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.64 -41.24 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.82 -43.49 83.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -63.66 -45.0 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.75 -43.69 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.84 -42.71 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 53' ' ' LEU . 6.2 tp -60.08 -42.67 95.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -62.96 -39.14 93.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -67.03 -35.22 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.2 mm-40 -67.21 -47.24 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD22 HD21 ' A' ' 107' ' ' LEU . 48.6 mt -64.99 -44.2 90.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.61 -45.19 79.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 m -67.23 -32.16 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.1 m-85 -91.36 3.34 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -61.81 156.66 19.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -61.75 -45.68 92.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.2 -41.08 74.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -38.26 84.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 72' ' ' LEU . 36.6 mt -66.92 -43.08 84.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 t -72.16 -25.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -90.1 -26.06 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -86.62 76.53 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.26 -31.15 52.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.85 -46.5 74.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 66' ' ' LEU . 15.7 tp -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.461 HD11 ' O ' ' A' ' 66' ' ' LEU . 8.0 mt -63.05 -41.98 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -65.33 -29.77 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -82.37 -24.23 34.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' HG12 ' A' ' 82' ' ' ILE . 23.4 mtp -70.15 151.01 45.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -90.08 -176.08 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -63.94 -36.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -78.46 8.13 5.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 63.39 45.41 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 14.1 m-85 -116.13 136.94 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 83' ' ' PRO . 23.7 mt -104.88 136.88 19.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.84 134.29 27.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.302 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' A' ' 104' ' ' LEU . 96.5 mt -60.75 -30.08 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.7 p-90 -62.08 -45.07 95.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 37.9 m -63.21 -43.98 96.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.23 -44.97 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.67 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.44 -11.45 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.9 mtp -54.71 140.05 37.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.42 -49.76 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.68 -45.93 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.2 mm -62.73 -39.19 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.49 -43.91 79.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.59 -31.92 72.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 71.2 mt -85.57 -36.97 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.937 HG21 HD23 ' A' ' 102' ' ' LEU . 62.8 m -164.02 145.7 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.2 p -118.51 15.53 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.857 ' H ' HG22 ' A' ' 97' ' ' THR . 13.5 t0 -96.67 124.11 51.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -45.12 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 102' ' ' LEU . 2.7 p30 -62.02 -39.55 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.937 HD23 HG21 ' A' ' 97' ' ' THR . 28.1 tp -64.81 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.58 -47.99 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 84' ' ' ILE . 25.5 mt -59.89 -36.92 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.07 -38.68 88.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.517 ' CG1' HD12 ' A' ' 57' ' ' LEU . 37.4 t -67.22 -45.5 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 57' ' ' LEU . 35.4 mt -65.98 -49.17 68.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -65.62 -28.17 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -75.83 -24.11 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' VAL . 7.8 t -97.6 139.11 21.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.79 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.5 mtp -41.46 -25.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 107' ' ' LEU . 10.8 m -131.95 151.16 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.71 129.9 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.05 128.28 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -43.57 139.43 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -39.05 -48.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -68.55 -45.28 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 44.68 1.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -109.79 -24.74 10.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -144.17 152.89 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.0 p -130.44 138.67 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 7.1 ptm180 -140.5 146.61 45.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.41 14.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.802 -179.772 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.907 0.384 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -65.9 -45.79 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.98 -45.81 87.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.48 -44.73 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.82 -44.35 94.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.99 -41.93 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -61.07 -41.35 96.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -67.11 -35.2 79.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.8 mm-40 -66.51 -47.35 73.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.632 HD12 ' CG1' ' A' ' 106' ' ' VAL . 40.9 mt -64.88 -46.09 83.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.03 -45.92 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 62.7 t80 -66.47 -41.96 88.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.6 m -65.42 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 82' ' ' ILE . 8.0 m-85 -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -61.54 155.52 21.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -60.0 -45.14 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.58 -43.05 73.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -62.73 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 72' ' ' LEU . 54.4 mt -63.5 -42.49 98.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' HD11 ' A' ' 73' ' ' ILE . 24.4 t -69.35 -33.09 72.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -80.56 -29.5 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -86.82 82.65 7.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.02 -34.22 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -64.36 -46.1 84.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 67' ' ' SER . 65.4 mt -66.44 -40.83 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -69.79 -28.21 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -82.44 -23.95 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 66' ' ' LEU . 21.5 mtt -51.2 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -129.48 -177.94 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -55.66 -49.99 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 11.0 t0 -84.41 23.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 61.27 42.25 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.0 m-85 -101.12 137.71 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 11.1 mt -110.9 136.27 20.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.588 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.3 Cg_endo -69.73 133.93 26.8 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.129 HD13 HD21 ' A' ' 104' ' ' LEU . 70.1 mt -65.22 -31.23 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.6 p-90 -62.23 -36.78 83.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.47 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -63.2 -45.0 93.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.08 -34.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.9 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.47 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 0.8 OUTLIER -86.59 -24.8 25.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.6 mtt -34.95 136.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.18 -52.13 66.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HZ2' ' A' ' 95' ' ' LYS . 31.8 mt-10 -58.58 -45.99 87.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 37.7 mm -57.43 -39.95 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -68.21 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HZ2' ' HA ' ' A' ' 92' ' ' GLU . 8.4 mtmp? -70.51 -33.05 70.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.6 mt -86.91 -36.71 18.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.926 HG21 HD23 ' A' ' 102' ' ' LEU . 87.5 m -165.73 144.5 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 p -115.54 19.11 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.917 ' H ' HG22 ' A' ' 97' ' ' THR . 7.9 t0 -104.63 124.06 38.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.536 0.684 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -38.05 8.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.13 -43.51 95.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.926 HD23 HG21 ' A' ' 97' ' ' THR . 37.6 tp -63.75 -43.83 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.88 -48.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.129 HD21 HD13 ' A' ' 84' ' ' ILE . 26.2 mt -60.63 -37.57 81.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.17 -39.68 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.632 ' CG1' HD12 ' A' ' 57' ' ' LEU . 77.9 t -65.9 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 113' ' ' VAL . 33.1 mt -65.19 -46.66 79.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -70.51 -25.49 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.1 m -72.02 -28.03 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 141.79 23.25 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.66 -47.72 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . 9.3 mtp -35.64 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 107' ' ' LEU . 11.6 m -128.76 147.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 122' ' ' VAL . 56.0 tp60 -131.69 129.7 41.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.33 132.77 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.45 144.07 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.93 -49.47 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -59.21 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.71 45.21 1.98 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -120.51 -22.23 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -144.1 144.07 31.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.69 140.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 2.2 ptp85 -127.34 144.9 52.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 106.09 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.3 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.836 0.35 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.08 -35.44 76.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.46 -39.05 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -65.01 -45.1 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 13.3 pt-20 -65.16 -40.65 94.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 5.8 m -61.69 -47.33 85.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 57' ' ' LEU . 9.6 tp -60.06 -41.02 91.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -59.19 -44.64 92.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -67.03 -35.56 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.1 mm100 -66.05 -48.69 70.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.942 HD13 ' HG ' ' A' ' 107' ' ' LEU . 72.9 mt -64.99 -45.03 87.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.66 -43.5 84.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 45.3 t80 -67.35 -46.74 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.9 m -61.32 -31.65 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' A' ' 82' ' ' ILE . 14.0 m-85 -93.57 1.06 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -62.77 155.68 25.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -60.62 -44.76 95.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.2 -43.11 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -66.33 -37.64 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.825 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.735 ' O ' HD11 ' A' ' 73' ' ' ILE . 40.0 mt -64.47 -45.17 88.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -67.88 -30.74 70.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -80.39 -35.83 34.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.8 t0 -81.39 81.6 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.12 -36.31 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.07 -46.99 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 66' ' ' LEU . 14.4 tp -58.49 -42.55 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 66' ' ' LEU . 79.0 mt -67.18 -35.28 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -69.32 -29.07 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -83.73 -26.97 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.4 mtt -43.56 164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -101.93 -176.52 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -65.27 -38.26 89.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.13 24.31 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 61.2 43.61 10.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.3 m-85 -112.68 143.18 44.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.666 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.5 mt -114.54 136.22 22.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.547 0.689 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.79 132.0 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.615 HD13 HD21 ' A' ' 104' ' ' LEU . 35.1 mt -62.68 -32.94 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -59.58 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.498 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -60.8 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.4 t -77.3 -34.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.76 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.016 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -78.79 -26.23 44.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.6 mtt -42.36 131.07 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.1 -45.8 86.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -62.09 -41.8 98.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 47.3 mm -67.1 -33.92 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -72.79 -46.82 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 52.9 mt -84.03 -34.33 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' H ' ' A' ' 99' ' ' ASP . 32.4 m -162.82 143.04 9.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.4 p -120.27 20.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.804 ' H ' HG22 ' A' ' 97' ' ' THR . 2.8 t70 -116.4 126.53 27.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 0.0 110.944 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.36 11.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.61 -44.12 91.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD23 HG21 ' A' ' 97' ' ' THR . 30.0 tp -64.22 -44.48 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.26 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 84' ' ' ILE . 25.1 mt -59.86 -39.26 84.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.0 tp10 -62.17 -44.0 97.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.0 t -61.86 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 57' ' ' LEU . 29.2 mt -62.56 -48.4 79.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -68.57 -25.52 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 38.7 t -81.48 -18.72 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t -97.76 139.69 21.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.2 Cg_endo -69.84 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . 52.0 mtp -34.23 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' A' ' 107' ' ' LEU . 33.3 m -130.36 167.47 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -145.16 129.77 18.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.495 HG11 HD22 ' A' ' 104' ' ' LEU . 49.0 t -94.93 129.01 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' GLU . 35.6 t0 -49.54 139.08 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' ASP . 34.9 tt0 -35.09 -51.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -62.72 -47.89 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.45 59.26 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.547 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -124.89 -36.4 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -137.22 149.43 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 p -127.42 144.22 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.534 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.5 ptt180 -134.42 146.49 59.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.96 4.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' MET . 91.5 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.78 -42.43 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.799 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.45 -45.97 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -63.09 -41.63 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.57 -40.01 95.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.4 t -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.687 HD23 HG21 ' A' ' 106' ' ' VAL . 14.2 tp -59.74 -38.35 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.59 -48.26 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 56' ' ' GLN . 8.8 pttp -67.61 -34.52 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.1 mm-40 -66.72 -46.31 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.6 mt -65.03 -45.5 85.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -65.92 -41.66 91.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -68.22 -37.55 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.425 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 14.3 t -64.77 -40.65 95.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 82' ' ' ILE . 7.6 m-85 -83.64 2.69 36.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.8 t -62.84 149.59 43.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -56.52 -44.24 80.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.7 -42.28 77.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 4.1 t30 -62.89 -44.22 96.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 72' ' ' LEU . 91.8 mt -61.29 -45.54 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -66.86 -32.17 73.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -85.11 -17.97 35.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -101.51 75.53 1.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.38 -28.93 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -68.66 -47.0 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 66' ' ' LEU . 15.8 tp -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 66' ' ' LEU . 71.9 mt -66.68 -38.61 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -69.6 -28.52 66.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -82.49 -26.32 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.492 ' HE3' HD11 ' A' ' 82' ' ' ILE . 17.6 mtt -45.59 170.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . 21.0 t70 -106.79 166.57 10.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -51.96 -27.41 13.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.5 31.11 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 54.01 30.95 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 9.6 m-85 -102.06 137.36 40.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 83' ' ' PRO . 28.7 mt -110.14 136.89 20.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.548 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.4 Cg_endo -69.72 133.65 26.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.616 HD13 HD21 ' A' ' 104' ' ' LEU . 45.2 mt -64.98 -27.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.548 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 3.1 p-90 -64.76 -32.0 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -68.91 -41.69 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 57' ' ' LEU . 47.2 t -76.96 -36.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.05 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -79.82 -19.22 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.8 mtt -47.65 143.0 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -64.04 -51.95 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 25.0 pm0 -62.22 -30.6 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 19.9 mm -73.86 -37.56 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -67.68 -39.41 84.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.9 -32.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 92.8 mt -85.04 -28.18 25.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.761 HG23 HD23 ' A' ' 102' ' ' LEU . 40.3 m -154.84 135.34 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -126.95 40.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -146.6 137.45 12.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -45.19 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.35 -39.61 93.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.761 HD23 HG23 ' A' ' 97' ' ' THR . 26.9 tp -62.95 -47.23 84.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.35 -48.02 89.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 84' ' ' ILE . 27.1 mt -57.25 -38.05 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.82 -43.58 88.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.687 HG21 HD23 ' A' ' 53' ' ' LEU . 77.7 t -62.72 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.841 HD23 HG21 ' A' ' 113' ' ' VAL . 21.4 mt -63.62 -47.91 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -67.86 -29.44 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -74.57 -28.13 60.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -94.14 133.31 27.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -44.27 2.23 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -45.03 -22.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.841 HG21 HD23 ' A' ' 107' ' ' LEU . 35.9 m -133.75 142.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -129.67 126.95 39.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.435 HG12 ' HA2' ' A' ' 119' ' ' GLY . 15.4 t -96.1 132.61 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 119' ' ' GLY . 28.1 t70 -53.18 136.14 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' ASP . 35.2 tt0 -34.19 -46.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -59.99 -46.35 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 94.94 45.93 2.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -120.82 -30.22 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.972 0.415 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -137.33 154.98 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 107' ' ' LEU . 2.5 p -135.84 145.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.498 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.2 ptp180 -131.09 151.16 78.44 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 116.2 4.46 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.84 -42.85 73.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.71 -44.76 95.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -62.35 -45.0 95.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.71 -41.57 98.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -60.92 -47.32 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD22 ' OG1' ' A' ' 97' ' ' THR . 9.0 tp -60.04 -39.3 85.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.14 -42.84 99.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -67.02 -35.04 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.8 mm-40 -65.59 -47.86 74.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 82.2 mt -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -66.96 -43.05 84.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -69.89 -43.77 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.3 t -65.56 -30.23 70.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.3 m-85 -89.99 2.1 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -64.91 155.17 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -71.01 -41.12 71.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -67.53 -38.46 84.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 72' ' ' LEU . 42.9 mt -66.01 -44.6 84.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -66.46 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -83.33 -22.08 32.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.436 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.5 t0 -91.77 76.06 5.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -54.85 -36.38 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -62.41 -46.43 88.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 66' ' ' LEU . 15.6 tp -60.73 -38.61 85.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.94 -38.57 81.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -70.07 -28.96 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -83.01 -24.28 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 66' ' ' LEU . 20.7 mtt -50.93 172.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -111.23 179.52 4.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 p -58.87 -41.02 86.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.96 37.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 50.46 35.42 11.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 7.1 m-85 -99.3 139.97 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.53 HD12 ' CE2' ' A' ' 61' ' ' PHE . 10.9 mt -111.92 136.24 21.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.586 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.8 Cg_endo -69.71 128.94 16.8 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.664 HD13 HD21 ' A' ' 104' ' ' LEU . 55.1 mt -58.98 -32.12 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.6 p-90 -59.03 -43.4 91.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.481 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 19.0 m -62.13 -37.09 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 57' ' ' LEU . 92.7 t -73.3 -45.07 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -15.7 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.86 -15.23 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.79 134.89 51.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.87 -52.03 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.06 -39.45 89.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.4 mm -69.78 -34.4 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 98' ' ' THR . 37.3 mtpt -73.63 -41.34 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -71.74 -26.19 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.6 mt -95.29 -30.03 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.912 HG23 HD23 ' A' ' 102' ' ' LEU . 51.3 m -150.38 119.85 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 94' ' ' LYS . 33.6 p -110.88 36.33 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.442 ' H ' HG22 ' A' ' 97' ' ' THR . 5.8 t70 -137.36 134.42 18.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.96 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.02 -38.62 91.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.912 HD23 HG23 ' A' ' 97' ' ' THR . 27.4 tp -62.85 -47.37 83.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.3 -43.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.664 HD21 HD13 ' A' ' 84' ' ' ILE . 33.1 mt -60.7 -38.92 86.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.88 -44.94 91.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.482 HG21 HD23 ' A' ' 53' ' ' LEU . 61.9 t -61.88 -45.61 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 113' ' ' VAL . 35.2 mt -63.14 -48.95 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -69.43 -20.58 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -86.36 -23.89 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.635 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.2 m -79.5 126.61 80.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.69 36.2 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.0 mtp -87.65 -18.31 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 107' ' ' LEU . 32.8 m -130.12 152.1 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.62 129.09 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.6 t -98.5 123.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -40.57 140.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -42.7 -52.86 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -60.38 -42.84 96.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.12 57.93 1.05 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -126.74 -30.01 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -142.73 154.65 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.477 HG21 HD22 ' A' ' 107' ' ' LEU . 2.3 p -133.17 144.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.1 ptp180 -134.06 144.68 52.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.34 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.766 0.317 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -69.43 -29.89 67.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -72.32 -43.41 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.82 -45.06 91.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.71 -48.02 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 12.9 tp -59.92 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -62.06 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.0 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 35.2 mm-40 -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.782 HD13 ' HG ' ' A' ' 107' ' ' LEU . 38.0 mt -64.36 -43.06 95.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -66.47 -45.97 77.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 6.1 t80 -67.4 -41.23 85.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -94.34 5.92 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.9 m -66.55 160.48 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -68.61 -42.51 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -68.28 -35.1 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 72' ' ' LEU . 34.7 mt -66.44 -45.06 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -69.55 -30.71 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -81.8 -33.64 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.36 85.28 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.79 -35.56 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -63.97 -47.01 82.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -59.43 -45.68 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 66' ' ' LEU . 62.2 mt -65.14 -33.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -30.95 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -81.99 -26.63 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.8 mtt -43.41 166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -113.28 170.32 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -49.9 -25.25 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -109.26 51.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 33.07 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 79' ' ' ASP . 8.1 m-85 -102.88 138.94 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 83' ' ' PRO . 24.4 mt -117.46 136.79 23.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.9 Cg_endo -69.74 125.97 12.78 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -58.25 -32.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.01 -36.98 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -63.32 -39.27 94.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.3 t -75.98 -36.9 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.96 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -86.06 -14.18 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.401 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 11.6 mtt -53.05 136.65 34.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.06 -44.17 94.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.5 -40.75 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.401 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 33.7 mm -71.45 -29.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -73.22 -40.77 64.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -73.36 -29.93 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 70.7 mt -87.97 -32.16 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.792 HG23 HD23 ' A' ' 102' ' ' LEU . 52.3 m -147.19 137.4 23.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.2 p -124.32 31.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 97' ' ' THR . 4.8 t70 -134.59 135.84 24.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.07 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.792 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -63.14 -48.05 80.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.22 -50.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -57.17 -36.11 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.01 -45.04 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 93.4 t -62.73 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.782 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.5 mt -62.34 -49.11 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -71.93 -17.32 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 m -84.41 -27.1 27.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -96.18 137.79 21.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.65 -49.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 125' ' ' SER . 38.0 mtp -34.21 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.683 HG21 HD23 ' A' ' 107' ' ' LEU . 31.1 m -128.63 163.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -142.55 136.65 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 84' ' ' ILE . 61.8 t -102.42 121.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -39.28 159.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -59.23 -36.67 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -77.25 -35.52 55.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.86 51.86 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -123.99 -35.76 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -135.98 143.81 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 115' ' ' VAL . 1.7 m -124.86 148.91 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -131.84 143.67 50.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.05 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' MET . 20.3 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.89 0.376 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.6 -45.71 74.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.34 -45.39 91.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.42 -45.01 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.29 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -59.53 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 57' ' ' LEU . 9.7 tp -59.97 -40.59 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -62.14 -42.01 98.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -67.05 -35.11 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 50.4 mm-40 -66.28 -49.59 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 107' ' ' LEU . 40.0 mt -65.02 -44.94 87.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.97 -45.96 79.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 33.9 t80 -68.58 -39.19 81.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.77 -34.6 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -88.45 1.28 55.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 t -61.6 157.87 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.38 -45.3 94.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 8.6 pt-20 -70.35 -43.0 71.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -65.35 -37.73 87.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 73' ' ' ILE . 20.3 mt -66.09 -45.6 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -70.32 -25.15 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -86.28 -33.36 20.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.7 t0 -83.14 78.02 9.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.04 -33.49 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.67 -46.77 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.652 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -60.02 -42.03 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 66' ' ' LEU . 56.9 mt -63.88 -41.41 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -69.63 -26.9 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -83.1 -26.42 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.423 ' CG ' HG12 ' A' ' 82' ' ' ILE . 11.1 mtt -47.33 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 7.6 t0 -107.56 -175.05 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -61.24 -44.46 97.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.15 26.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.61 32.35 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' ASP . 13.7 m-85 -101.29 138.05 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.478 HG23 ' HD2' ' A' ' 83' ' ' PRO . 16.2 mt -111.97 136.54 21.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 137.02 34.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -65.43 -27.98 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -64.44 -40.69 96.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 4.7 m -60.91 -45.03 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.447 HG13 ' SD ' ' A' ' 90' ' ' MET . 89.3 t -77.33 -34.63 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.54 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -79.0 -21.14 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.447 ' SD ' HG13 ' A' ' 87' ' ' VAL . 8.8 mtt -45.48 131.82 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.66 -46.38 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.08 -38.81 92.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 38.5 mm -71.49 -36.78 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -70.65 -40.3 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -73.86 -30.24 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.2 mt -87.71 -29.56 21.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.579 HG23 HD23 ' A' ' 102' ' ' LEU . 31.7 m -162.09 113.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.93 33.11 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 97' ' ' THR . 5.1 t70 -126.04 130.19 24.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -45.03 1.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.05 -41.58 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 97' ' ' THR . 22.7 tp -63.96 -42.65 97.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.9 -44.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 84' ' ' ILE . 41.9 mt -60.16 -40.6 90.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.07 -43.62 91.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.515 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.8 t -61.1 -44.62 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.064 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.7 mt -65.67 -49.05 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -71.85 -16.92 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -86.87 -24.49 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.632 ' HB3' HG22 ' A' ' 113' ' ' VAL . 7.9 t -88.01 131.22 43.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -18.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.0 mtp -78.61 -12.38 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 107' ' ' LEU . 27.7 m -140.86 152.27 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -136.88 123.19 20.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 122' ' ' VAL . 38.6 t -95.67 127.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.63 138.37 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.42 -50.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.81 -43.96 81.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.88 55.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -130.11 -32.46 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -136.91 146.37 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 115' ' ' VAL . 3.0 p -128.92 146.35 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.461 ' HD2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 ptm180 -134.01 147.57 64.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.26 3.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.859 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.75 -47.94 67.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.41 -45.76 90.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -37.48 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.4 m -61.41 -49.74 75.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.89 -40.97 90.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -62.82 -41.51 99.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.17 -34.94 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.21 -48.37 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.532 HD12 ' CG1' ' A' ' 106' ' ' VAL . 50.8 mt -63.06 -45.47 92.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.59 -45.98 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 16.1 t80 -64.48 -45.84 85.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.7 t -62.94 -30.87 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.81 -0.41 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -62.18 156.3 22.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.32 -45.79 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.36 -43.08 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -64.12 -40.92 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 72' ' ' LEU . 27.2 mt -63.33 -45.74 89.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 73' ' ' ILE . 45.7 t -77.25 -15.46 59.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -91.69 -30.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -91.36 91.58 8.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.46 -43.17 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.0 -46.99 86.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -58.75 -44.58 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -62.02 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -69.56 -26.42 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -84.51 -23.6 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 66' ' ' LEU . 11.3 mtt -48.02 173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t0 -108.24 -174.97 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -65.28 -37.31 86.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.429 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 5.2 t0 -99.04 27.91 4.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 63.37 52.96 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' ASP . 22.1 m-85 -119.51 140.8 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 83' ' ' PRO . 50.7 mt -112.1 136.95 21.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.707 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.4 Cg_endo -69.65 138.94 39.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.881 HD13 HD21 ' A' ' 104' ' ' LEU . 46.8 mt -66.04 -30.45 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.596 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 4.9 p-90 -62.57 -39.97 95.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 5.8 m -63.1 -42.1 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.14 -35.49 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.08 -20.3 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' TRP . 2.4 m-80 -89.01 -14.11 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.441 ' CB ' HG12 ' A' ' 93' ' ' ILE . 7.6 mtt -56.39 131.34 48.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -54.98 -50.77 68.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -39.34 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' CB ' ' A' ' 90' ' ' MET . 29.0 mm -72.31 -33.29 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -73.44 -39.74 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.54 -29.1 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.52 -31.54 19.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 HD23 ' A' ' 102' ' ' LEU . 6.2 m -156.26 127.74 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.4 40.91 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -138.71 134.08 17.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.88 5.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.18 -42.28 89.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 106' ' ' VAL . 36.3 tp -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.38 -46.99 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.881 HD21 HD13 ' A' ' 84' ' ' ILE . 49.1 mt -57.87 -39.97 79.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 109' ' ' SER . 43.3 tt0 -66.11 -40.37 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.3 t -65.23 -43.57 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 mt -66.07 -49.15 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 13.6 ttm105 -72.19 -17.23 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 17.6 t -86.01 -25.41 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.447 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.4 m -78.06 128.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 125' ' ' SER . 36.3 mtp -93.6 -27.3 16.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 107' ' ' LEU . 15.2 m -131.01 147.84 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.0 mp0 -133.34 141.79 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.8 t -99.41 131.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 117' ' ' GLU . 10.6 t70 -44.15 138.82 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ASP . 19.4 tp10 -37.82 -52.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.08 85.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.48 60.45 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -129.46 -33.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -141.12 153.07 45.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.02 134.92 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 13.2 ptt180 -119.82 144.0 36.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.48 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.96 -35.78 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.23 -46.95 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.16 -38.92 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -61.9 -47.64 84.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 10.4 tp -59.92 -41.18 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 27.4 ttpt -61.97 -40.59 96.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -67.07 -40.04 86.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.1 mm-40 -62.81 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 94.2 mt -64.88 -44.07 90.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.06 -45.98 79.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.07 -42.8 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.79 -31.35 72.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.95 -0.02 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -58.6 158.72 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -61.57 -45.89 92.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.28 -42.37 72.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -38.32 88.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 72' ' ' LEU . 38.3 mt -65.67 -45.12 84.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -75.13 -17.65 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -94.11 -29.24 15.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -86.54 81.48 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.89 -40.36 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -59.53 -46.88 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 66' ' ' LEU . 14.2 tp -59.45 -41.31 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 66' ' ' LEU . 43.1 mt -68.43 -35.77 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.93 -27.53 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -85.77 -26.31 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 mtt -44.7 165.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' PHE . 23.1 t70 -102.58 176.69 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -56.26 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -92.57 28.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 58.84 32.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.8 m-85 -102.99 138.0 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 83' ' ' PRO . 41.3 mt -103.43 137.12 19.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.5 Cg_endo -69.65 138.5 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.533 HD13 HD21 ' A' ' 104' ' ' LEU . 82.8 mt -66.04 -31.39 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -59.32 -39.74 84.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 45.1 m -65.78 -43.97 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.19 -45.12 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.15 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -22.51 27.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.455 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.0 mtp -48.32 140.59 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.83 -50.17 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -64.07 -39.87 95.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 30.9 mm -68.99 -32.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -72.21 -45.77 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -68.73 -28.53 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 59.1 mt -86.5 -33.73 20.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 102' ' ' LEU . 96.7 m -151.26 141.54 22.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -125.69 27.71 6.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -132.17 136.79 28.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -43.38 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.255 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.96 -41.43 97.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 97' ' ' THR . 25.5 tp -63.02 -45.01 94.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.28 -44.59 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 HD13 ' A' ' 84' ' ' ILE . 26.8 mt -62.13 -36.57 82.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -64.97 -44.39 89.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 99.3 t -60.98 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.1 mt -63.24 -48.11 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -63.42 -33.1 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -75.79 -11.07 59.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -99.9 119.18 60.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.52 16.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 mtp -90.46 8.26 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 20.9 m -151.05 160.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.0 tp60 -125.07 131.8 53.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.2 127.72 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' GLY . 27.6 t70 -53.13 134.7 38.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' ASP . 73.9 mm-40 -35.66 -41.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -78.53 -41.14 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 98.92 49.92 1.55 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -110.17 -32.91 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -139.89 148.78 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 114' ' ' GLN . 4.7 p -133.05 135.87 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.531 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.4 ptt180 -129.21 151.31 77.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.99 9.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.802 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.914 0.388 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 3.6 t0 -68.31 -36.8 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 96' ' ' LEU . 41.6 mt -70.66 -47.03 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -64.95 -45.05 87.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.22 -38.36 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -65.63 -50.48 64.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.95 -37.59 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.77 -44.11 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 58.2 mm-40 -64.78 -49.93 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 107' ' ' LEU . 70.5 mt -60.43 -44.97 95.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -61.57 -46.02 91.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -69.38 -35.44 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CE ' ' A' ' 90' ' ' MET . 3.2 t -67.4 -38.34 84.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CD2' HG12 ' A' ' 113' ' ' VAL . 17.3 m-85 -85.08 -0.45 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 p -59.17 154.15 16.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 26.1 mtm105 -61.54 -42.5 98.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.99 -42.72 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.45 -38.67 84.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 72' ' ' LEU . 54.2 mt -64.04 -43.96 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 41.2 t -72.91 -29.13 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -83.94 -28.17 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -86.37 77.36 9.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.0 mt -53.82 -31.04 47.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -66.19 -46.87 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 66' ' ' LEU . 13.9 tp -61.86 -40.4 95.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.611 HD11 ' O ' ' A' ' 66' ' ' LEU . 54.8 mt -66.19 -36.79 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -68.83 -32.68 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.28 -22.97 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.515 ' CE ' HD22 ' A' ' 66' ' ' LEU . 22.8 mtt -52.0 169.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.68 -179.09 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.9 t -57.01 -45.1 83.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' HB2' ' CD2' ' A' ' 81' ' ' PHE . 1.2 m-20 -84.59 20.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 62.96 27.77 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 4.9 m-85 -89.61 137.05 32.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 83' ' ' PRO . 51.9 mt -110.53 137.84 20.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 111.201 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.806 HD13 HD21 ' A' ' 104' ' ' LEU . 41.5 mt -59.7 -32.31 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.577 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 4.3 m -64.16 -43.81 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.19 -45.09 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.59 -18.2 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.0 -9.55 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.45 ' CB ' HG12 ' A' ' 93' ' ' ILE . 5.4 mtt -56.71 139.62 49.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.04 -50.99 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -63.34 -37.08 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.45 HG12 ' CB ' ' A' ' 90' ' ' MET . 17.1 mm -71.06 -36.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -69.6 -43.44 72.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -31.82 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 83.5 mt -79.4 -37.17 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 99' ' ' ASP . 35.9 m -165.85 144.19 5.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.7 p -117.26 22.48 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.833 ' H ' HG22 ' A' ' 97' ' ' THR . 2.4 t70 -102.4 121.99 48.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.84 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -64.15 -41.87 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 97' ' ' THR . 28.8 tp -63.05 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.98 -48.46 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.806 HD21 HD13 ' A' ' 84' ' ' ILE . 24.4 mt -61.7 -38.23 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.37 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 57' ' ' LEU . 75.3 t -61.8 -44.07 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 57' ' ' LEU . 36.8 mt -64.02 -49.07 73.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -68.89 -16.94 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -87.18 -20.13 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 m -96.47 132.96 25.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -32.04 19.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.76 2.307 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.4 mtp -60.25 -23.34 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 107' ' ' LEU . 20.5 m -129.65 149.58 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.58 129.09 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 122' ' ' VAL . 58.8 t -97.44 128.22 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -48.26 146.82 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -44.36 -50.73 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -59.41 -43.23 93.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.35 51.46 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -123.23 -21.97 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -148.13 155.77 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 115' ' ' VAL . 1.6 p -134.95 144.7 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.6 ptp180 -131.41 147.53 66.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.91 109.76 2.42 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.818 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.4 -34.32 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -73.54 -43.74 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -45.11 91.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.56 -42.33 95.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -58.91 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.008 HD23 HG21 ' A' ' 106' ' ' VAL . 12.6 tp -60.02 -40.78 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 110' ' ' SER . 48.4 tttp -62.64 -41.12 98.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.12 -37.85 84.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 13.9 mm100 -62.13 -50.08 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.13 -45.61 92.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -70.97 -38.55 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.98 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.1 m-85 -77.55 5.39 9.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -63.67 153.66 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.8 -44.11 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.11 -40.12 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -66.92 -42.03 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.731 ' O ' HD11 ' A' ' 73' ' ' ILE . 54.5 mt -64.3 -41.06 97.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -73.34 -36.75 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -78.07 -24.02 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.97 81.58 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.7 mt -57.82 -37.56 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.19 -46.87 88.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.677 HD23 HD23 ' A' ' 66' ' ' LEU . 14.5 tp -58.58 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 66' ' ' LEU . 59.2 mt -62.69 -36.79 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -69.53 -27.38 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -82.38 -26.94 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.551 ' CE ' HD22 ' A' ' 66' ' ' LEU . 26.3 mtt -57.65 162.86 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -102.44 174.61 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.3 p -50.88 -32.43 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.56 23.67 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 52.03 46.59 26.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.484 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 13.4 m-85 -115.07 137.07 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 6.8 mt -102.73 135.29 19.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.71 137.25 35.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.57 -30.45 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.94 -41.49 96.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.448 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 97.8 m -68.33 -39.97 81.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.8 t -71.58 -35.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.19 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.53 -10.31 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.4 mtt -58.89 137.2 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -49.77 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.414 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 35.4 mm -66.43 -29.85 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 98' ' ' THR . 20.9 mtpp -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -27.6 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 93.0 mt -90.96 -30.44 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.561 ' OG1' HD22 ' A' ' 53' ' ' LEU . 22.2 m -149.23 131.5 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 94' ' ' LYS . 5.1 p -124.4 28.32 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.9 137.92 29.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.71 3.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -63.03 -42.65 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -62.99 -42.19 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.506 HG13 HG21 ' A' ' 97' ' ' THR . 63.3 mt -61.11 -45.72 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -43.58 98.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 1.008 HG21 HD23 ' A' ' 53' ' ' LEU . 98.3 t -63.09 -49.69 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 122' ' ' VAL . 31.5 mt -61.71 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -66.74 -26.2 66.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 t -86.33 -25.34 25.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.501 ' O ' HG22 ' A' ' 113' ' ' VAL . 2.4 t -81.88 116.63 64.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.734 0.778 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -18.85 36.19 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtp -78.5 10.09 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 110' ' ' SER . 34.0 m -144.38 159.94 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 122' ' ' VAL . 17.3 tt0 -130.63 129.12 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.22 133.63 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.53 144.11 55.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -38.46 -44.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.37 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.98 -26.48 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -140.01 151.28 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.576 HG21 HD22 ' A' ' 107' ' ' LEU . 6.6 p -135.84 137.75 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 10.5 ptm180 -127.47 150.14 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 110.77 2.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.757 2.305 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.922 0.391 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.97 -47.45 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.1 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -64.56 -44.86 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -62.61 -44.54 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -58.23 -48.3 80.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 106' ' ' VAL . 11.4 tp -59.97 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -61.65 -46.03 91.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.5 -37.15 86.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 16.2 mm100 -63.52 -49.36 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' HG ' ' A' ' 107' ' ' LEU . 74.2 mt -65.02 -44.64 88.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.68 -46.01 87.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -71.46 -35.76 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 24.1 m -67.89 -31.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.767 ' CE2' HD12 ' A' ' 82' ' ' ILE . 12.0 m-85 -95.4 4.45 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -61.52 153.1 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.83 -44.3 94.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.0 -43.58 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 7.1 t30 -64.26 -38.91 92.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 72' ' ' LEU . 43.2 mt -64.28 -45.14 89.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.6 t -69.02 -25.79 64.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -86.61 -31.96 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 32.3 t0 -84.91 79.24 9.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -53.72 -37.42 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.84 -47.02 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -60.42 -39.45 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 66' ' ' LEU . 55.2 mt -65.17 -40.22 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.05 -28.11 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -82.39 -26.35 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 mtt -46.21 168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.22 -174.75 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 34.2 t -65.24 -49.37 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.4 t0 -85.69 24.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 78' ' ' SER . 13.1 mp0 63.69 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 24.2 m-85 -122.82 137.62 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 61' ' ' PHE . 32.7 mt -110.02 136.71 20.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.81 141.03 43.95 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.635 2.223 . . . . 0.0 112.324 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.085 HD13 HD21 ' A' ' 104' ' ' LEU . 57.3 mt -64.96 -29.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD2' ' N ' ' A' ' 86' ' ' THR . 2.2 p-90 -60.63 -44.65 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 8.4 m -63.15 -35.09 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.184 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.12 -45.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.71 -20.3 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.0 -13.89 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.2 mtt -53.92 133.93 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -57.81 -50.23 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.51 -30.32 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.48 -44.22 62.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -69.01 -28.23 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 46.4 mt -85.13 -36.24 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 99' ' ' ASP . 31.0 m -159.59 135.1 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -119.6 32.13 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.603 ' H ' HG22 ' A' ' 97' ' ' THR . 16.4 t0 -119.32 131.36 24.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.526 0.679 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -45.05 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -64.5 -39.37 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.499 HD23 ' CG2' ' A' ' 97' ' ' THR . 22.4 tp -66.24 -48.04 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.79 -51.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 84' ' ' ILE . 45.0 mt -56.85 -37.73 71.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.73 -44.42 96.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.727 HG21 HD23 ' A' ' 53' ' ' LEU . 84.7 t -61.69 -44.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 57' ' ' LEU . 43.9 mt -65.4 -40.96 94.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.45 -32.12 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 p -80.71 -27.95 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -79.77 129.3 71.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.737 0.779 . . . . 0.0 110.815 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.0 Cg_endo -69.75 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.0 mtp -39.93 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 107' ' ' LEU . 5.0 m -130.44 160.68 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -143.37 128.04 18.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 119' ' ' GLY . 12.8 t -97.98 132.99 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 119' ' ' GLY . 7.9 m-20 -55.21 139.36 42.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 116' ' ' ASP . 7.0 mm-40 -35.77 -48.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -59.96 -46.94 87.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.66 44.81 2.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -114.15 -28.48 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -144.26 149.96 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.07 134.96 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 9.7 ptt180 -123.57 146.08 48.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 107.77 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.796 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.81 -44.93 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.76 -43.16 97.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -64.29 -44.41 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.4 -40.53 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.0 m -62.65 -47.41 83.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 106' ' ' VAL . 9.7 tp -59.9 -41.49 91.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.37 -40.92 98.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -67.13 -35.85 80.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.6 mm100 -69.17 -46.29 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 107' ' ' LEU . 46.5 mt -64.72 -45.46 86.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -66.26 -45.89 78.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.544 ' CE2' ' OD1' ' A' ' 65' ' ' ASN . 87.3 t80 -68.68 -37.77 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 m -66.47 -34.86 78.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.631 ' CD2' HG11 ' A' ' 113' ' ' VAL . 11.8 m-85 -91.06 5.96 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -65.89 154.52 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -60.23 -46.01 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.45 -43.96 72.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.544 ' OD1' ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.981 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 72' ' ' LEU . 34.5 mt -62.09 -46.07 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -28.16 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -90.58 -9.38 47.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 20.5 t0 -104.21 74.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.789 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.1 -40.82 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -58.12 -45.73 86.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.59 -48.83 79.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.07 -29.81 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -65.19 -41.56 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.505 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -82.01 -26.13 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 75' ' ' GLN . 18.2 mtt -43.6 151.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.79 176.9 6.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 m -62.53 -30.4 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.04 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 62.96 29.74 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 11.9 m-85 -103.17 138.73 39.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.494 HG23 ' NE2' ' A' ' 75' ' ' GLN . 30.6 mt -115.97 136.5 22.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.51 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.73 142.87 49.22 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.614 HD13 HD21 ' A' ' 104' ' ' LEU . 61.9 mt -65.63 -28.26 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.593 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.5 p-90 -62.71 -45.76 91.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 15.8 m -61.42 -38.53 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.71 -40.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.05 -16.76 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.22 -14.38 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.7 mtt -53.64 135.48 40.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -57.08 -49.25 76.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -44.61 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.81 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.6 mm -68.29 -32.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -75.48 -41.4 55.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -26.86 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 42.5 mt -84.32 -37.02 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.818 HG22 ' H ' ' A' ' 99' ' ' ASP . 82.8 m -166.11 144.14 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.4 24.65 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.818 ' H ' HG22 ' A' ' 97' ' ' THR . 10.9 t0 -104.03 120.85 49.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -39.54 6.35 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.91 -42.87 99.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 97' ' ' THR . 27.0 tp -63.0 -41.61 99.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.94 -49.66 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 84' ' ' ILE . 19.9 mt -59.77 -38.32 81.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.53 -43.0 91.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 102' ' ' LEU . 93.6 t -66.96 -44.72 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 HG21 ' A' ' 113' ' ' VAL . 28.2 mt -63.08 -49.04 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -18.68 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.4 t -85.07 -26.97 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -90.28 133.2 33.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -31.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.6 mtp -57.93 -26.01 61.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.704 HG21 HD23 ' A' ' 107' ' ' LEU . 25.4 m -130.14 150.13 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.0 129.75 40.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.413 HG12 ' HA2' ' A' ' 119' ' ' GLY . 21.3 t -98.72 130.68 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.4 t0 -56.82 142.92 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.5 mm-40 -36.58 -51.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -58.27 -48.99 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.6 44.68 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -116.92 -15.77 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -151.72 149.04 28.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.594 HG21 HD22 ' A' ' 107' ' ' LEU . 3.2 p -126.42 146.63 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 16.7 ptt180 -135.44 143.93 47.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 112.1 2.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.61 -45.76 67.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.39 -45.25 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -63.54 -44.93 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -42.73 99.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.57 -46.29 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 HG21 ' A' ' 106' ' ' VAL . 10.8 tp -60.12 -40.92 91.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -62.82 -40.37 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -67.06 -39.57 86.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mm100 -66.31 -42.86 87.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' A' ' 107' ' ' LEU . 69.8 mt -65.04 -45.4 85.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.17 -45.96 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.39 -49.45 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.413 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 14.5 m -59.69 -30.64 68.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 82' ' ' ILE . 13.5 m-85 -93.44 3.89 54.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 t -66.82 156.01 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -45.43 92.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.02 -39.93 83.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -68.02 -39.63 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 72' ' ' LEU . 61.6 mt -64.18 -44.73 91.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -69.85 -38.1 76.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -76.39 -30.05 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 38.1 t0 -86.51 78.61 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -53.32 -36.48 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -62.05 -46.79 87.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.2 -40.25 89.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.04 -42.47 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -66.19 -31.57 72.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -83.89 -24.08 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.417 ' CG ' HG12 ' A' ' 82' ' ' ILE . 30.1 mtp -62.64 170.22 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -105.02 -176.42 3.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.3 m -65.54 -43.74 89.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 23.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.38 47.77 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -109.94 138.95 45.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.583 HG23 ' HD2' ' A' ' 83' ' ' PRO . 62.3 mt -118.6 137.46 24.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.8 138.59 38.07 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.772 ' CD1' HD21 ' A' ' 104' ' ' LEU . 70.0 mt -65.66 -29.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.5 p-90 -63.13 -38.7 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -66.65 -45.02 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.96 -45.15 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.32 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -20.99 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtp -47.38 133.82 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.53 -48.69 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.06 -46.07 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.5 mm -60.39 -40.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -67.31 -38.89 85.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -65.63 -30.94 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 94.9 mt -85.74 -37.04 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.827 HG22 ' H ' ' A' ' 99' ' ' ASP . 51.6 m -166.02 143.8 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -114.31 26.53 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.827 ' H ' HG22 ' A' ' 97' ' ' THR . 8.5 t0 -110.02 120.56 44.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -38.01 8.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.56 -42.35 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 97' ' ' THR . 32.4 tp -63.05 -42.7 99.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.77 -45.88 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.93 HD22 HG11 ' A' ' 115' ' ' VAL . 35.0 mt -62.79 -36.33 82.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.14 -39.84 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.3 t -67.7 -46.26 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.83 ' CD2' HG21 ' A' ' 113' ' ' VAL . 32.4 mt -65.52 -47.36 76.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -68.27 -28.59 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.7 t -76.38 -23.49 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 113' ' ' VAL . 2.4 p -93.04 137.2 23.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -31.49 20.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 37.3 mtp -54.34 -34.54 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CD2' ' A' ' 107' ' ' LEU . 19.5 m -129.09 163.99 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.733 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.3 tm0? -140.93 132.95 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.93 HG11 HD22 ' A' ' 104' ' ' LEU . 45.3 t -100.62 119.14 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' VAL . 13.5 t70 -37.52 145.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -53.77 -20.0 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -88.53 -35.11 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.74 45.59 5.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -119.03 -30.91 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -145.47 144.85 30.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.0 p -125.12 137.91 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -125.85 144.65 49.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 123.13 9.78 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 38' ' ' SER . 26.8 p -133.84 128.57 34.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 110.84 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 37' ' ' SER . 29.1 t -36.39 -59.55 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -128.58 -123.71 2.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -132.54 -59.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.807 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 m -92.19 161.51 14.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.94 -132.76 6.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.72 174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.19 105.07 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.174 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 t -130.86 174.03 10.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -58.2 -29.61 65.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.58 -42.0 92.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.86 -36.56 72.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.6 mt -67.02 -44.68 79.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -64.98 -43.21 93.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.19 -44.98 94.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.35 -43.74 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 53' ' ' LEU . 8.9 tp -60.18 -41.14 92.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -63.04 -40.31 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -67.01 -36.3 81.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.483 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 22.1 mm-40 -64.11 -49.78 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD13 ' HG ' ' A' ' 107' ' ' LEU . 98.6 mt -64.86 -44.35 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -64.59 -45.77 85.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.455 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 13.5 t80 -67.72 -42.01 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.6 m -62.71 -31.83 72.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD2' HG12 ' A' ' 113' ' ' VAL . 12.2 m-85 -93.85 0.49 56.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t -60.24 157.12 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -61.53 -45.59 93.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -68.54 -43.75 76.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.4 t30 -65.41 -39.03 91.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.68 ' O ' HD11 ' A' ' 73' ' ' ILE . 34.9 mt -63.41 -44.78 93.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 31.0 t -77.41 -16.66 58.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -90.29 -30.11 17.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.971 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -91.69 85.37 5.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.68 -32.81 63.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.96 -45.77 73.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.65 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.11 -44.59 87.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 66' ' ' LEU . 44.3 mt -64.77 -38.6 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -68.13 -27.14 66.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -83.87 -26.5 29.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.471 ' HE3' HD11 ' A' ' 82' ' ' ILE . 13.7 mtt -47.88 172.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.9 t0 -105.12 -175.49 2.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.0 t -67.53 -38.31 84.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -92.6 33.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 54.02 49.51 18.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.1 m-85 -121.42 137.31 54.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 83' ' ' PRO . 47.7 mt -107.45 138.11 19.85 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.0 Cg_endo -69.78 132.58 23.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.805 HD13 HD21 ' A' ' 104' ' ' LEU . 44.9 mt -60.85 -31.61 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.562 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.9 p-90 -60.37 -39.85 88.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.423 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 3.6 m -62.09 -44.53 96.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 57' ' ' LEU . 95.4 t -72.03 -40.34 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.9 -18.08 63.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -91.01 -14.71 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.5 mtt -53.34 136.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -57.96 -51.34 70.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.29 -42.18 90.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 32.4 mm -70.26 -31.24 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -73.35 -40.09 64.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -73.1 -29.76 63.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.908 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 82.8 mt -83.53 -34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 99' ' ' ASP . 30.7 m -155.52 138.58 15.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.2 p -118.06 16.42 14.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.71 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -115.27 130.69 24.06 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -40.52 5.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.97 -43.42 98.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 106' ' ' VAL . 21.4 tp -64.85 -46.6 81.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 55.6 mt -63.22 -46.2 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.805 HD21 HD13 ' A' ' 84' ' ' ILE . 30.3 mt -58.34 -40.69 82.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 109' ' ' SER . 18.9 tt0 -63.82 -41.34 97.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 102' ' ' LEU . 78.8 t -62.56 -44.15 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.811 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.3 mt -66.01 -48.87 69.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.49 -24.57 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 16.9 m -76.42 -27.43 56.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -95.66 141.4 23.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.729 0.776 . . . . 0.0 110.829 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 -50.52 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.722 2.281 . . . . 0.0 112.343 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' PRO . 46.8 mtp -36.25 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.747 HG21 HD23 ' A' ' 107' ' ' LEU . 33.5 m -127.96 161.18 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.445 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.3 tt0 -144.03 125.3 14.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.411 HG12 ' HA2' ' A' ' 119' ' ' GLY . 39.7 t -100.06 127.73 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.8 t70 -44.99 134.86 5.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 116' ' ' ASP . 36.4 mt-10 -35.69 -44.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -68.82 -46.9 67.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 102.58 61.58 0.72 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -130.22 -32.29 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -139.81 146.68 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.8 p -130.26 139.79 50.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 4.9 ptt180 -131.2 144.6 54.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.636 0.731 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 115.26 4.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 82.9 p -45.0 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 126' ' ' HIS . 6.5 p-80 -85.37 38.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -151.56 126.39 9.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -76.33 117.84 18.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 25.0 p -94.31 -39.21 10.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.5 pt -98.7 158.67 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.1 m -87.4 -50.92 6.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -175.41 -85.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.4 11.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.296 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.4 m -100.83 121.77 42.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 88.3 p -163.32 111.95 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.8 t -161.75 141.21 10.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 110.841 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -174.8 172.05 3.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.73 171.43 44.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 p -154.75 139.72 17.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.837 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.6 t -136.04 106.55 6.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 43' ' ' ALA . . . 170.2 -158.72 30.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.6 136.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.2 t -100.29 100.35 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.4 m -110.52 176.92 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -64.88 -37.74 88.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -61.19 -39.43 90.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.19 -43.06 65.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.9 mt -65.06 -46.05 82.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -44.42 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -60.86 -39.12 87.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.1 m -67.73 -50.17 58.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.48 HD23 HG21 ' A' ' 106' ' ' VAL . 8.3 tp -60.06 -40.28 88.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -62.6 -41.96 99.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.933 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -67.17 -35.04 78.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.561 HE21 HD11 ' A' ' 96' ' ' LEU . 25.8 mm-40 -65.5 -48.23 73.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.809 HD22 HD21 ' A' ' 107' ' ' LEU . 63.8 mt -64.08 -45.79 87.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.34 -45.91 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 64.7 t80 -66.9 -39.48 87.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.435 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.7 m -65.8 -33.35 75.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.9 m-85 -89.98 1.22 56.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 t -61.33 154.21 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -61.22 -45.84 92.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -70.43 -41.73 72.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 1.2 t30 -63.84 -42.54 97.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 72' ' ' LEU . 55.7 mt -64.49 -45.47 87.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 t -62.72 -34.18 76.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.3 ttpp -82.54 -27.89 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -88.67 85.29 6.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.828 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.61 -32.61 71.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -67.06 -46.54 74.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 66' ' ' LEU . 12.5 tp -60.28 -41.97 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.538 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -66.86 -35.84 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.0 t -69.25 -29.69 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -84.78 -25.6 28.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.872 ' HE1' HD13 ' A' ' 66' ' ' LEU . 26.2 mtt -47.5 171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.17 -175.12 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.9 m -63.78 -39.29 93.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.72 30.06 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 56.72 44.19 24.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 123' ' ' ARG . 22.8 m-85 -111.45 138.75 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 61' ' ' PHE . 25.6 mt -113.4 136.64 21.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.2 Cg_endo -69.77 139.75 40.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' ' 104' ' ' LEU . 65.5 mt -65.84 -30.47 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.53 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -60.37 -41.75 94.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.473 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 6.5 m -64.18 -43.17 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.144 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.0 t -72.02 -36.62 57.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.93 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -83.98 -22.03 31.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.426 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.3 mtt -46.56 134.97 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.59 -51.33 70.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.89 -44.41 97.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.426 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -62.56 -35.89 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 98' ' ' THR . 43.9 mtpt -70.2 -45.9 65.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -63.34 -28.02 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.561 HD11 HE21 ' A' ' 56' ' ' GLN . 86.1 mt -91.47 -33.23 15.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.964 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.641 HG23 HD23 ' A' ' 102' ' ' LEU . 16.1 m -156.02 131.87 9.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 94' ' ' LYS . 54.2 p -123.72 41.21 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -137.63 137.13 21.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.609 0.718 . . . . 0.0 110.862 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.14 1.71 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.92 -38.18 87.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.641 HD23 HG23 ' A' ' 97' ' ' THR . 15.9 tp -63.46 -47.64 80.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 72.0 mt -62.56 -48.7 87.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.461 HD21 HD13 ' A' ' 84' ' ' ILE . 22.3 mt -56.44 -39.53 73.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.46 -41.25 96.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 95.4 t -64.85 -46.6 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.809 HD21 HD22 ' A' ' 57' ' ' LEU . 39.8 mt -61.11 -49.02 78.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 115' ' ' VAL . 58.6 mtt180 -70.14 -22.33 63.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -79.49 -28.06 41.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -94.09 134.41 25.95 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.658 0.742 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.8 Cg_endo -69.68 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.778 2.319 . . . . 0.0 112.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 26.7 mtp -39.43 -27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' PRO . 11.6 m -128.44 160.28 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -144.07 129.43 18.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.415 ' HB ' ' CG ' ' A' ' 108' ' ' ARG . 18.3 t -98.41 132.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.73 158.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.79 -28.56 70.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -77.76 -45.6 24.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.36 53.79 1.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -128.01 -34.36 2.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -136.89 150.67 48.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG21 HD22 ' A' ' 107' ' ' LEU . 7.8 p -127.31 140.28 49.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB3' ' CE2' ' A' ' 81' ' ' PHE . 8.2 ptm180 -128.08 146.86 60.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 106.76 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.392 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.5 t -60.36 109.67 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -45.22 -32.19 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -88.68 126.17 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -111.97 171.98 7.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 20.5 p -88.43 165.11 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 130' ' ' ILE . 5.2 mp -75.52 86.9 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m -153.13 126.98 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -114.72 -77.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 150.55 68.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -112.96 127.36 56.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 43.7 p 42.81 42.06 2.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 t -114.18 99.8 7.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.908 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -153.54 158.5 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.34 153.65 7.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.0 p -114.48 -5.62 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -124.15 83.19 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -177.92 -77.42 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.44 176.23 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 45' ' ' SER . 7.4 p -123.32 -41.16 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 44' ' ' VAL . 28.5 p -42.48 -46.07 4.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -59.24 -40.59 86.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.122 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.78 -43.05 98.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.55 -46.53 75.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.77 -44.64 95.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.25 -44.25 92.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.51 -40.23 90.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 93.8 m -61.98 -49.88 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.784 HD23 HG21 ' A' ' 106' ' ' VAL . 13.3 tp -59.91 -41.18 91.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.953 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -62.92 -40.82 98.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.8 mm100 -67.53 -48.73 66.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.621 HD13 ' HG ' ' A' ' 107' ' ' LEU . 96.9 mt -65.02 -43.98 90.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -45.62 84.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -69.35 -39.22 78.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 52.1 m -66.61 -30.25 70.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -90.29 -0.17 57.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.1 p -65.95 157.38 30.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -61.12 -36.73 80.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -68.87 -43.87 74.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.422 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 4.2 t30 -71.61 -36.67 70.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.83 ' O ' HD11 ' A' ' 73' ' ' ILE . 67.8 mt -64.26 -38.88 92.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -79.89 -27.24 40.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -89.46 -13.67 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 34.8 t0 -102.18 79.42 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 77.4 mt -57.7 -33.42 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -64.36 -46.96 81.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.766 HD23 HD23 ' A' ' 66' ' ' LEU . 12.2 tp -59.81 -44.09 94.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.978 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.83 HD11 ' O ' ' A' ' 66' ' ' LEU . 65.3 mt -65.54 -36.46 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -67.79 -30.35 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.16 -26.96 32.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.647 ' CE ' HD11 ' A' ' 82' ' ' ILE . 19.8 mtt -52.56 160.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 79' ' ' ASP . 20.3 p30 -105.85 176.9 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.3 t -56.84 -26.99 59.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 2.1 m-20 -91.21 26.09 2.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 8.3 mm-40 45.04 27.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 10.8 m-85 -104.39 137.75 41.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 83' ' ' PRO . 72.0 mt -103.53 138.54 19.56 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.092 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 82' ' ' ILE . 52.6 Cg_endo -69.87 135.9 31.35 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.651 2.234 . . . . 0.0 112.303 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.727 HD13 HD21 ' A' ' 104' ' ' LEU . 49.2 mt -62.87 -32.62 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.549 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -60.08 -37.96 81.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.0 m -65.18 -44.9 86.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.27 -45.09 97.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -21.9 61.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.69 -17.21 42.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.438 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.2 mtt -50.06 135.51 20.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -57.67 -49.87 75.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.69 -46.0 87.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.438 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 34.2 mm -60.88 -35.44 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -69.71 -40.37 76.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -66.95 -29.77 69.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 47.5 mt -88.1 -36.93 16.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 99' ' ' ASP . 37.7 m -158.24 131.69 7.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.99 28.78 8.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.617 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -120.28 133.4 23.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.87 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.82 3.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.251 . . . . 0.0 112.355 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.13 -44.15 97.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.576 HD23 ' CG2' ' A' ' 97' ' ' THR . 25.7 tp -63.84 -45.68 88.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.58 -43.62 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.727 HD21 HD13 ' A' ' 84' ' ' ILE . 33.0 mt -61.53 -35.93 79.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.994 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -67.08 -43.88 81.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.784 HG21 HD23 ' A' ' 53' ' ' LEU . 90.0 t -60.38 -44.28 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.737 HD23 HG21 ' A' ' 113' ' ' VAL . 27.1 mt -65.95 -48.03 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -71.25 -21.54 62.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.7 t -85.81 -21.55 28.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.78 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.418 ' HB3' HG22 ' A' ' 113' ' ' VAL . 2.9 t -96.31 134.53 23.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.738 . . . . 0.0 110.849 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.3 Cg_endo -69.87 -50.7 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.318 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 31.1 mtp -39.92 -26.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.829 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.737 HG21 HD23 ' A' ' 107' ' ' LEU . 18.6 m -128.64 157.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.156 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -145.04 124.54 13.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.517 HG12 ' HA2' ' A' ' 119' ' ' GLY . 16.2 t -96.07 134.03 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -42.01 143.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -43.24 -39.33 2.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -72.05 -44.6 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.517 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.51 48.13 1.45 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -118.98 -29.29 5.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -140.17 149.42 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.581 HG21 HD22 ' A' ' 107' ' ' LEU . 4.8 p -130.3 144.38 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.067 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.562 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 9.0 ptm180 -138.52 146.11 49.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.743 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 111.73 2.89 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.655 2.237 . . . . 0.0 112.301 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.3 t -80.68 109.71 15.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.804 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -88.97 34.77 0.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.804 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? 58.26 40.36 24.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 mtp85 -84.89 38.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 2.1 t -135.2 142.65 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 130' ' ' ILE . 4.4 mp -94.69 97.94 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 89.4 p 43.36 47.97 5.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.841 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.41 -163.05 51.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -31.51 20.1 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.6 p -45.46 143.98 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.7 p -112.94 127.9 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.445 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.2 t -134.91 119.92 18.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.4 m -106.65 165.11 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.12 -148.55 25.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.3 t -138.4 132.52 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.4 m -97.86 101.33 12.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.06 -142.11 6.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.49 175.31 7.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.328 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.3 163.41 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 m -115.35 173.23 6.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.64 ' HA ' HD12 ' A' ' 49' ' ' LEU . 24.3 m -58.03 -31.99 67.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.97 -42.48 99.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.15 -33.33 67.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 46' ' ' THR . 16.2 mt -71.61 -46.21 59.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -44.96 95.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -65.52 -42.94 91.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.49 -47.74 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.405 HD11 HD11 ' A' ' 57' ' ' LEU . 11.3 tp -60.01 -39.76 86.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -62.21 -42.52 99.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -66.99 -35.22 79.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 34.3 mm-40 -67.41 -48.56 66.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.965 HD13 ' HG ' ' A' ' 107' ' ' LEU . 86.5 mt -64.7 -44.38 90.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -66.56 -45.84 78.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 65.4 t80 -65.98 -47.66 73.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 50.6 m -57.49 -39.19 75.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.86 0.85 45.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.807 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t -61.16 153.67 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 5.5 mmm180 -58.31 -45.74 87.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -70.89 -43.83 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.427 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER -62.45 -38.8 91.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.859 ' O ' HD11 ' A' ' 73' ' ' ILE . 29.5 mt -66.61 -45.39 79.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t -66.6 -25.27 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -90.82 -27.93 18.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -89.5 76.58 7.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -55.8 -31.39 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.53 -46.74 78.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.702 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.91 -42.47 98.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.859 HD11 ' O ' ' A' ' 66' ' ' LEU . 53.6 mt -65.86 -37.8 80.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.1 t -69.85 -27.96 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -82.12 -26.82 33.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.9 mtt -47.74 174.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.6 OUTLIER -107.73 -175.95 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 t -64.64 -40.06 94.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.73 33.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 53.32 43.31 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ASP . 11.6 m-85 -116.1 139.26 50.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.579 HG23 ' HD2' ' A' ' 83' ' ' PRO . 53.5 mt -109.97 137.36 20.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.674 0.749 . . . . 0.0 111.093 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.1 Cg_endo -69.73 136.53 33.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.369 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.946 HD13 HD21 ' A' ' 104' ' ' LEU . 63.4 mt -63.16 -31.95 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.526 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.1 p-90 -60.8 -40.46 92.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 7.9 m -62.6 -43.81 97.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.0 t -70.95 -36.85 65.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 -23.81 62.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -84.88 -13.24 51.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.6 mtt -57.3 129.11 40.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.12 77.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' OE1' ' OE1' ' A' ' 56' ' ' GLN . 16.2 pt-20 -63.86 -44.76 92.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 41.1 mm -67.69 -32.98 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.154 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -73.71 -41.13 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.2 pttp -71.36 -25.31 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.428 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 81.0 mt -94.48 -28.38 15.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.725 HG23 HD23 ' A' ' 102' ' ' LEU . 30.8 m -156.75 133.73 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 2.7 p -117.03 34.91 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.633 ' H ' HG22 ' A' ' 97' ' ' THR . 1.9 t70 -136.28 134.91 20.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 110.807 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -43.2 2.71 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.554 2.169 . . . . 0.0 112.385 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.62 -41.06 98.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.725 HD23 HG23 ' A' ' 97' ' ' THR . 22.2 tp -63.21 -46.76 85.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.9 mt -61.15 -51.05 77.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.946 HD21 HD13 ' A' ' 84' ' ' ILE . 69.7 mt -58.9 -39.71 82.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -58.87 -44.7 91.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 102' ' ' LEU . 61.9 t -61.7 -53.24 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.965 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.7 mt -60.01 -47.33 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -68.62 -29.99 68.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.9 t -75.85 -22.89 55.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.9 t -91.91 137.5 25.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.714 0.769 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.4 Cg_endo -69.74 -46.92 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 29.6 mtp -39.91 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 107' ' ' LEU . 29.5 m -137.68 166.72 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -140.76 132.81 27.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.475 HG11 HD22 ' A' ' 104' ' ' LEU . 59.1 t -108.0 120.61 59.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 117' ' ' GLU . 4.5 t70 -39.88 134.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 116' ' ' ASP . 30.2 mm-40 -37.93 -47.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -58.01 -50.06 74.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.67 47.82 1.74 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.446 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -113.85 -35.05 5.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -138.46 153.59 48.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.524 HG11 HD13 ' A' ' 107' ' ' LEU . 3.7 p -132.94 144.68 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.413 ' HD3' ' CE2' ' A' ' 81' ' ' PHE . 13.3 ptt85 -145.56 149.35 40.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.693 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 152.01 69.56 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 80.0 p -63.96 95.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -47.98 -32.14 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -146.99 124.97 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -128.82 26.0 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 71.7 m -43.11 -52.37 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 79.1 mt -113.43 124.09 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 132' ' ' GLY . 91.0 p -125.93 44.73 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 131' ' ' SER . . . 35.49 75.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.523 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -10.38 28.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.377 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 23.2 t -79.81 97.73 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.7 m -136.21 162.59 32.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.555 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.6 p -120.94 88.15 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.817 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.1 p -60.93 155.54 19.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.88 102.09 1.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 t -145.91 165.28 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.9 m -42.2 163.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.758 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 39.51 58.85 2.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.3 111.44 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.774 0.321 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.2 p -65.05 153.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.3 m -129.33 -42.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 47' ' ' GLU . 7.9 t -59.63 -41.05 89.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.143 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 46' ' ' THR . 2.9 tp10 -69.13 -42.73 75.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.9 -33.86 74.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.86 -45.74 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -63.62 -44.94 92.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -60.09 -44.98 94.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 55' ' ' LYS . 74.5 m -59.88 -42.28 93.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD23 HG21 ' A' ' 106' ' ' VAL . 10.3 tp -59.92 -42.99 95.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -62.56 -38.99 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' NZ ' ' HA ' ' A' ' 52' ' ' CYS . 7.7 mtmp? -66.9 -38.37 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.406 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 39.5 mm-40 -70.12 -42.96 71.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.877 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.8 mt -64.99 -43.56 92.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.77 -45.6 81.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 4.6 t80 -70.39 -37.06 74.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.472 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 17.0 m -68.03 -31.04 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -94.99 3.83 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.6 t -63.26 153.85 33.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttt-85 -61.86 -45.47 93.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.74 -43.65 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 4.3 t30 -63.65 -42.98 98.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 72' ' ' LEU . 62.0 mt -62.35 -44.94 95.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 73' ' ' ILE . 10.0 t -65.86 -34.6 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -77.84 -33.97 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.09 77.99 7.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.842 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.8 mt -53.25 -32.0 46.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -66.43 -46.84 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.919 HD23 HD23 ' A' ' 66' ' ' LEU . 13.2 tp -59.71 -41.65 91.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 67' ' ' SER . 9.4 mt -65.05 -38.59 83.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -68.69 -28.42 66.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.01 -24.88 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 mtt -48.37 177.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.8 OUTLIER -112.6 -176.43 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.9 m -64.55 -42.94 95.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -88.98 31.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.816 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 56.17 48.22 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.97 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 23.9 m-85 -118.41 137.36 53.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.492 HG23 ' HD2' ' A' ' 83' ' ' PRO . 17.2 mt -106.59 136.57 19.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.631 0.729 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.594 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.7 Cg_endo -69.76 135.91 31.67 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 0.0 112.421 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.826 HD13 HD21 ' A' ' 104' ' ' LEU . 46.6 mt -65.27 -33.58 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.4 p-90 -58.97 -36.98 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.465 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.6 m -63.9 -42.72 97.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.183 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.7 t -77.05 -34.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.167 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.61 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 1.4 p30 -81.82 -26.37 34.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.488 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 10.2 mtt -40.08 132.58 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.22 -50.3 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -60.45 -37.53 81.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.488 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 44.0 mm -72.54 -33.16 44.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CD ' ' O ' ' A' ' 89' ' ' ASN . 37.0 mtpt -73.29 -41.74 63.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -71.78 -29.61 64.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 85.7 mt -89.08 -34.25 16.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.692 HG23 HD23 ' A' ' 102' ' ' LEU . 21.4 m -145.02 132.33 20.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 76.1 p -120.09 39.81 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 97' ' ' THR . 2.2 t70 -148.44 138.26 12.64 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.521 0.677 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -44.69 1.89 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.593 2.196 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -63.18 -39.13 93.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.692 HD23 HG23 ' A' ' 97' ' ' THR . 20.7 tp -62.91 -47.15 84.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.502 HG13 HG21 ' A' ' 97' ' ' THR . 70.9 mt -62.79 -46.06 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.826 HD21 HD13 ' A' ' 84' ' ' ILE . 22.7 mt -63.03 -35.95 81.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.93 -44.32 89.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.66 HG21 HD23 ' A' ' 53' ' ' LEU . 71.9 t -61.45 -48.95 86.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.877 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.0 mt -65.94 -44.01 86.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -72.01 -23.95 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 37.4 t -81.9 -23.59 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.5 t -94.16 132.27 29.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.731 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -40.88 4.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.317 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.8 mtp -42.02 -27.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 107' ' ' LEU . 19.3 m -133.29 165.33 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.541 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.8 tp-100 -134.7 131.62 37.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 122' ' ' VAL . 91.2 t -94.93 123.35 47.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 121' ' ' LYS . 17.6 t70 -38.42 140.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.13 -69.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -51.18 -44.32 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 105.74 40.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -112.85 -27.49 8.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 116' ' ' ASP . 28.3 mtmt -138.16 154.57 49.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 115' ' ' VAL . 73.5 t -135.51 140.48 44.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.557 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 17.0 ptt180 -135.07 143.82 47.57 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.592 0.711 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.05 1.99 Allowed 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.65 2.233 . . . . 0.0 112.4 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -66.87 110.12 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -90.05 21.37 3.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -72.66 -48.28 40.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 59.21 44.53 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 49.3 t -120.95 113.54 20.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.4 pt -113.4 151.37 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 88.3 p -154.77 106.3 2.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -63.65 141.95 46.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.64 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.65 2.233 . . . . 0.0 112.356 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 47.9 m -97.5 -49.69 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 52.3 m -142.7 108.1 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.446 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.1 m -52.13 159.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.865 0.364 . . . . 0.0 110.795 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 t -118.95 -46.69 2.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.76 -166.29 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.436 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -88.26 105.09 17.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.918 0.389 . . . . 0.0 110.828 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.7 t -52.69 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 37.51 -134.36 1.0 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.14 155.16 16.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.792 0.33 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -78.39 126.9 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.1 m -156.1 171.48 20.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.7 t -59.09 -30.12 67.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 48' ' ' ASP . 10.2 pt-20 -64.26 -41.58 96.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.5 m-20 -71.89 -34.94 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.05 -41.31 61.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -64.95 -40.66 95.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 26.3 pt-20 -68.99 -44.81 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.635 ' SG ' HD22 ' A' ' 96' ' ' LEU . 9.5 p -62.24 -46.8 87.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 57' ' ' LEU . 11.1 tp -65.56 -40.73 93.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HA ' HG11 ' A' ' 106' ' ' VAL . 13.6 ttmm -62.89 -38.92 92.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -67.11 -39.03 86.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.444 HE21 HD11 ' A' ' 96' ' ' LEU . 22.5 mm-40 -67.38 -46.86 72.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.633 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.7 mt -65.07 -45.86 83.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.421 ' CD ' ' HG2' ' A' ' 54' ' ' LYS . 83.3 mt-10 -66.9 -45.84 76.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -67.24 -39.86 86.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.0 m -62.77 -38.23 89.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 82' ' ' ILE . 11.7 m-85 -85.97 5.03 35.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -68.15 156.24 37.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -59.81 -43.53 94.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -67.75 -42.92 81.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.81 -39.1 87.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 72' ' ' LEU . 50.8 mt -62.62 -43.96 97.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 73' ' ' ILE . 42.5 t -82.74 -23.12 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -18.07 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -103.44 83.88 2.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.6 mt -55.5 -34.81 64.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -62.86 -46.92 85.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -60.54 -41.69 95.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.48 HD11 ' O ' ' A' ' 66' ' ' LEU . 83.3 mt -63.98 -37.21 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.5 t -69.72 -30.87 68.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -83.09 -23.29 33.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.453 ' CG ' HG12 ' A' ' 82' ' ' ILE . 36.0 mtp -69.44 150.6 47.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -97.52 175.3 6.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 t -58.44 -28.02 64.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -82.39 8.61 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 58.1 33.42 23.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 11.8 m-85 -110.39 141.18 43.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 61' ' ' PHE . 40.4 mt -113.3 136.78 21.86 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.653 0.739 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.5 Cg_endo -69.83 134.72 28.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.274 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.861 HD13 HD21 ' A' ' 104' ' ' LEU . 73.4 mt -59.45 -31.19 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.58 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.37 -43.34 96.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.529 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 9.0 m -63.46 -42.52 98.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.2 t -67.55 -45.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -16.99 62.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.058 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.74 -15.49 34.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 7.6 mtt -54.27 135.94 43.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -57.15 -46.64 82.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.02 -44.59 88.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mm -66.93 -31.45 53.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -75.87 -41.88 50.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -72.87 -26.48 61.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.635 HD22 ' SG ' ' A' ' 52' ' ' CYS . 28.4 mt -88.4 -36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.612 HG22 ' H ' ' A' ' 99' ' ' ASP . 16.6 m -149.62 134.6 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -116.0 38.32 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.612 ' H ' HG22 ' A' ' 97' ' ' THR . 1.5 t70 -140.1 127.9 12.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.502 0.668 . . . . 0.0 110.95 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 -39.93 5.8 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.287 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -62.0 -44.06 97.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 106' ' ' VAL . 26.6 tp -63.31 -46.46 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.439 ' HA ' HD21 ' A' ' 53' ' ' LEU . 52.4 mt -61.74 -44.62 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 84' ' ' ILE . 25.8 mt -62.83 -37.31 86.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 109' ' ' SER . 34.8 tt0 -64.18 -41.81 96.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 102' ' ' LEU . 87.7 t -63.55 -44.91 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.08 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 113' ' ' VAL . 39.3 mt -65.95 -48.91 69.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -31.73 70.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 30.9 m -71.93 -23.87 61.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.3 m -98.86 138.92 20.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.5 Cg_endo -69.74 -50.85 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.125 0 C-N-CA 122.661 2.24 . . . . 0.0 112.307 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' PRO . 34.0 mtp -34.9 -32.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' LEU . 30.9 m -128.1 154.24 38.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -131.17 132.99 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 39.7 t -102.42 125.45 56.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 117' ' ' GLU . 5.7 t0 -39.95 128.2 2.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' ASP . 11.4 pt-20 -34.48 -48.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -64.37 -48.28 76.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 105.88 56.14 0.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -127.48 -32.66 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -138.71 150.75 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.421 HG11 HD13 ' A' ' 107' ' ' LEU . 1.6 p -126.98 138.42 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.575 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 22.4 ptt85 -132.81 145.22 56.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.808 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 123.79 10.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.352 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.0 m -90.67 86.38 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.806 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -86.01 16.3 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -86.62 120.98 28.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -42.42 -51.1 5.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 130' ' ' ILE . 42.2 t -95.34 108.99 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.739 ' H ' HD12 ' A' ' 130' ' ' ILE . 5.3 mp -36.23 -62.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.8 p -75.83 99.12 4.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.28 -171.27 29.01 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 159.2 54.36 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -168.17 139.53 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.8 m -66.8 158.43 30.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.8 p -91.84 108.46 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.4 m -110.36 115.46 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -105.12 -168.41 24.04 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.534 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.9 p -45.78 128.45 8.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 110.786 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.3 p -50.26 146.95 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.39 -103.96 0.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.97 162.35 28.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.8 p -165.98 141.13 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 33.5 m -135.14 173.85 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -62.83 -34.32 77.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.15 -41.96 99.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.64 -41.24 79.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.82 -43.49 83.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.9 ttmm -63.66 -45.0 92.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.75 -43.69 97.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.1 t -60.84 -42.71 98.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 53' ' ' LEU . 6.2 tp -60.08 -42.67 95.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -62.96 -39.14 93.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -67.03 -35.22 79.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.2 mm-40 -67.21 -47.24 71.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD22 HD21 ' A' ' 107' ' ' LEU . 48.6 mt -64.99 -44.2 90.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.61 -45.19 79.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -68.75 -38.04 79.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.7 m -67.23 -32.16 73.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.1 m-85 -91.36 3.34 55.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -61.81 156.66 19.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.83 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -61.75 -45.68 92.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.2 -41.08 74.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.23 -38.26 84.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 72' ' ' LEU . 36.6 mt -66.92 -43.08 84.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.9 t -72.16 -25.56 61.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -90.1 -26.06 20.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -86.62 76.53 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.26 -31.15 52.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -66.85 -46.5 74.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.897 HD23 HD23 ' A' ' 66' ' ' LEU . 15.7 tp -59.63 -43.48 93.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.461 HD11 ' O ' ' A' ' 66' ' ' LEU . 8.0 mt -63.05 -41.98 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.8 t -65.33 -29.77 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -82.37 -24.23 34.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.432 ' CG ' HG12 ' A' ' 82' ' ' ILE . 23.4 mtp -70.15 151.01 45.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.447 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -90.08 -176.08 4.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 t -63.94 -36.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -78.46 8.13 5.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 63.39 45.41 4.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.519 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 14.1 m-85 -116.13 136.94 52.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.506 HG23 ' HD2' ' A' ' 83' ' ' PRO . 23.7 mt -104.88 136.88 19.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.84 134.29 27.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.302 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' A' ' 104' ' ' LEU . 96.5 mt -60.75 -30.08 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.7 p-90 -62.08 -45.07 95.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.565 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 37.9 m -63.21 -43.98 96.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.23 -44.97 99.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.57 -17.67 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.04 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.44 -11.45 43.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.9 mtp -54.71 140.05 37.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.42 -49.76 75.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -62.68 -45.93 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 18.2 mm -62.73 -39.19 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.49 -43.91 79.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -62.59 -31.92 72.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 71.2 mt -85.57 -36.97 20.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.937 HG21 HD23 ' A' ' 102' ' ' LEU . 62.8 m -164.02 145.7 8.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.2 p -118.51 15.53 13.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.857 ' H ' HG22 ' A' ' 97' ' ' THR . 13.5 t0 -96.67 124.11 51.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 110.853 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -45.12 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.352 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 102' ' ' LEU . 2.7 p30 -62.02 -39.55 92.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.937 HD23 HG21 ' A' ' 97' ' ' THR . 28.1 tp -64.81 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.3 mt -60.58 -47.99 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 84' ' ' ILE . 25.5 mt -59.89 -36.92 77.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -66.07 -38.68 88.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.517 ' CG1' HD12 ' A' ' 57' ' ' LEU . 37.4 t -67.22 -45.5 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.743 HD21 HD22 ' A' ' 57' ' ' LEU . 35.4 mt -65.98 -49.17 68.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -65.62 -28.17 68.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 m -75.83 -24.11 55.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 113' ' ' VAL . 7.8 t -97.6 139.11 21.18 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.6 Cg_endo -69.79 -46.68 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.228 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.5 mtp -41.46 -25.76 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 107' ' ' LEU . 10.8 m -131.95 151.16 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -130.71 129.9 43.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 60.6 t -102.05 128.28 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -43.57 139.43 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -39.05 -48.13 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -68.55 -45.28 72.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 44.68 1.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.545 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -109.79 -24.74 10.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.931 0.396 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -144.17 152.89 41.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.0 p -130.44 138.67 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.519 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 7.1 ptm180 -140.5 146.61 45.83 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 127.41 14.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.0 t -88.05 112.2 22.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.802 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -91.9 35.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -100.35 99.4 10.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.41 ' CD ' ' H ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -77.15 154.51 33.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 5.3 t -116.7 140.86 48.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 130' ' ' ILE . 8.2 tp -135.83 116.79 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.5 t 40.06 43.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.05 -169.65 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.455 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 151.69 68.9 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.333 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 51.3 p -78.91 154.7 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.3 t -117.75 -54.45 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.432 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.238 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m 43.99 40.96 3.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.6 t -140.25 151.0 44.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.08 113.91 0.46 Allowed Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.2 m -90.33 117.79 29.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.4 m -60.35 131.65 51.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.88 167.82 11.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.591 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.7 132.55 1.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.7 m -94.58 128.79 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.5 m -76.14 176.91 7.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 47' ' ' GLU . 10.1 t -64.75 -40.32 95.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' HG23 ' A' ' 46' ' ' THR . 13.7 tt0 -59.41 -42.58 92.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -65.9 -45.79 80.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.98 -45.81 87.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -63.48 -44.73 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -61.71 -44.55 96.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.82 -44.35 94.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.99 -41.93 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -61.07 -41.35 96.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -67.11 -35.2 79.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.443 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.8 mm-40 -66.51 -47.35 73.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.632 HD12 ' CG1' ' A' ' 106' ' ' VAL . 40.9 mt -64.88 -46.09 83.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.03 -45.92 76.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 62.7 t80 -66.47 -41.96 88.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 50.6 m -65.42 -33.59 76.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 82' ' ' ILE . 8.0 m-85 -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.4 t -61.54 155.52 21.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -60.0 -45.14 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -69.58 -43.05 73.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -62.73 -43.18 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 72' ' ' LEU . 54.4 mt -63.5 -42.49 98.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' HD11 ' A' ' 73' ' ' ILE . 24.4 t -69.35 -33.09 72.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -80.56 -29.5 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -86.82 82.65 7.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.6 mt -55.02 -34.22 63.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -64.36 -46.1 84.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.978 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -61.84 -36.91 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 67' ' ' SER . 65.4 mt -66.44 -40.83 87.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -69.79 -28.21 65.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -82.44 -23.95 34.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.714 ' CE ' HD22 ' A' ' 66' ' ' LEU . 21.5 mtt -51.2 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.82 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -129.48 -177.94 4.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.1 t -55.66 -49.99 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' A' ' 81' ' ' PHE . 11.0 t0 -84.41 23.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.785 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 61.27 42.25 12.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 6.0 m-85 -101.12 137.71 39.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 11.1 mt -110.9 136.27 20.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.622 0.725 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.588 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.3 Cg_endo -69.73 133.93 26.8 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.129 HD13 HD21 ' A' ' 104' ' ' LEU . 70.1 mt -65.22 -31.23 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.588 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 5.6 p-90 -62.23 -36.78 83.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.47 ' HA ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -63.2 -45.0 93.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.08 -34.91 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.9 67.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.47 ' ND2' ' HA ' ' A' ' 86' ' ' THR . 0.8 OUTLIER -86.59 -24.8 25.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.484 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.6 mtt -34.95 136.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.18 -52.13 66.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' HA ' ' HZ2' ' A' ' 95' ' ' LYS . 31.8 mt-10 -58.58 -45.99 87.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.484 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 37.7 mm -57.43 -39.95 71.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -68.21 -31.75 71.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HZ2' ' HA ' ' A' ' 92' ' ' GLU . 8.4 mtmp? -70.51 -33.05 70.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.6 mt -86.91 -36.71 18.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.926 HG21 HD23 ' A' ' 102' ' ' LEU . 87.5 m -165.73 144.5 6.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.9 p -115.54 19.11 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.917 ' H ' HG22 ' A' ' 97' ' ' THR . 7.9 t0 -104.63 124.06 38.22 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.536 0.684 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -38.05 8.46 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.738 2.292 . . . . 0.0 112.339 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -64.13 -43.51 95.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.926 HD23 HG21 ' A' ' 97' ' ' THR . 37.6 tp -63.75 -43.83 95.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.6 mt -60.88 -48.08 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.129 HD21 HD13 ' A' ' 84' ' ' ILE . 26.2 mt -60.63 -37.57 81.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -64.17 -39.68 94.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.632 ' CG1' HD12 ' A' ' 57' ' ' LEU . 77.9 t -65.9 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 113' ' ' VAL . 33.1 mt -65.19 -46.66 79.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -70.51 -25.49 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 62.1 m -72.02 -28.03 63.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 141.79 23.25 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.7 Cg_endo -69.66 -47.72 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . 9.3 mtp -35.64 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 107' ' ' LEU . 11.6 m -128.76 147.29 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.561 ' O ' HG23 ' A' ' 122' ' ' VAL . 56.0 tp60 -131.69 129.7 41.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.33 132.77 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -54.45 144.07 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.93 -49.47 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -59.21 -49.81 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 100.71 45.21 1.98 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -120.51 -22.23 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 0.0 110.811 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -144.1 144.07 31.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.69 140.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.065 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.52 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 2.2 ptp85 -127.34 144.9 52.4 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 106.09 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 126' ' ' HIS . 1.3 t -52.51 102.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 126' ' ' HIS . 2.3 t60 -34.44 -39.78 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -76.18 123.68 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.6 140.89 52.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.2 p -77.33 150.76 35.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.681 HD12 ' C ' ' A' ' 130' ' ' ILE . 2.0 pp -90.69 165.84 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 96.9 p -100.61 117.69 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 178.69 146.84 6.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.457 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 165.94 29.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.333 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.9 m -125.81 -51.28 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 69.2 p -64.21 140.37 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.48 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.0 p -65.35 -43.72 89.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.887 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 t -78.5 -52.19 8.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.8 123.59 5.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.7 m -112.1 173.87 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 m -127.56 137.4 52.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.14 -178.0 19.13 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.25 87.13 4.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.865 0.364 . . . . 0.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.98 163.07 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.1 t -120.69 177.45 5.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -61.49 -41.64 97.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -57.95 -41.53 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.08 -35.44 76.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -72.46 -39.05 68.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -65.01 -45.1 86.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 13.3 pt-20 -65.16 -40.65 94.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 51' ' ' GLU . 5.8 m -61.69 -47.33 85.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HD11 ' A' ' 57' ' ' LEU . 9.6 tp -60.06 -41.02 91.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -59.19 -44.64 92.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -67.03 -35.56 80.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 15.1 mm100 -66.05 -48.69 70.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.942 HD13 ' HG ' ' A' ' 107' ' ' LEU . 72.9 mt -64.99 -45.03 87.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -66.66 -43.5 84.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.495 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 45.3 t80 -67.35 -46.74 72.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 7.9 m -61.32 -31.65 71.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' A' ' 82' ' ' ILE . 14.0 m-85 -93.57 1.06 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.3 t -62.77 155.68 25.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -60.62 -44.76 95.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.2 -43.11 74.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -66.33 -37.64 85.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.825 -179.863 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.735 ' O ' HD11 ' A' ' 73' ' ' ILE . 40.0 mt -64.47 -45.17 88.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' HD11 ' A' ' 73' ' ' ILE . 14.1 t -67.88 -30.74 70.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -80.39 -35.83 34.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.422 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.8 t0 -81.39 81.6 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 mt -56.12 -36.31 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -64.07 -46.99 81.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.666 HD23 HD23 ' A' ' 66' ' ' LEU . 14.4 tp -58.49 -42.55 87.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.735 HD11 ' O ' ' A' ' 66' ' ' LEU . 79.0 mt -67.18 -35.28 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 t -69.32 -29.07 66.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 -83.73 -26.97 29.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.4 mtt -43.56 164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -101.93 -176.52 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -65.27 -38.26 89.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -90.13 24.31 2.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.819 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 52.9 mm-40 61.2 43.61 10.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.3 m-85 -112.68 143.18 44.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.666 HD12 ' CE2' ' A' ' 61' ' ' PHE . 14.5 mt -114.54 136.22 22.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.547 0.689 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.555 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.79 132.0 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.621 2.214 . . . . 0.0 112.356 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.615 HD13 HD21 ' A' ' 104' ' ' LEU . 35.1 mt -62.68 -32.94 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.555 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.7 p-90 -59.58 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.498 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 3.4 m -60.8 -43.89 97.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.4 t -77.3 -34.52 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.01 -27.76 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.016 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -78.79 -26.23 44.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.439 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 8.6 mtt -42.36 131.07 3.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.1 -45.8 86.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.84 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -62.09 -41.8 98.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 47.3 mm -67.1 -33.92 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -72.79 -46.82 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -27.87 68.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 52.9 mt -84.03 -34.33 24.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.804 HG22 ' H ' ' A' ' 99' ' ' ASP . 32.4 m -162.82 143.04 9.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 68.4 p -120.27 20.63 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.804 ' H ' HG22 ' A' ' 97' ' ' THR . 2.8 t70 -116.4 126.53 27.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.558 0.694 . . . . 0.0 110.944 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -36.36 11.08 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.61 -44.12 91.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD23 HG21 ' A' ' 97' ' ' THR . 30.0 tp -64.22 -44.48 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.6 mt -61.26 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 84' ' ' ILE . 25.1 mt -59.86 -39.26 84.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 109' ' ' SER . 11.0 tp10 -62.17 -44.0 97.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.0 t -61.86 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 57' ' ' LEU . 29.2 mt -62.56 -48.4 79.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -68.57 -25.52 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 38.7 t -81.48 -18.72 44.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 t -97.76 139.69 21.49 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 112' ' ' MET . 53.2 Cg_endo -69.84 -49.96 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.275 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 111' ' ' PRO . 52.0 mtp -34.23 -36.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.653 HG21 ' CD2' ' A' ' 107' ' ' LEU . 33.3 m -130.36 167.47 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -145.16 129.77 18.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.495 HG11 HD22 ' A' ' 104' ' ' LEU . 49.0 t -94.93 129.01 45.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' GLU . 35.6 t0 -49.54 139.08 12.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' ASP . 34.9 tt0 -35.09 -51.71 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -62.72 -47.89 81.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 101.45 59.26 0.79 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.547 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -124.89 -36.4 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.8 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -137.22 149.43 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 p -127.42 144.22 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.534 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.5 ptt180 -134.42 146.49 59.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 126' ' ' HIS . 53.8 Cg_endo -69.78 116.96 4.81 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.379 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' MET . 91.5 p -45.69 92.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' PRO . 90.2 m-70 -44.04 -43.42 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -126.52 165.03 19.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -106.45 79.87 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.7 t -91.61 -52.06 4.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.1 mm 53.7 45.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.7 t -116.77 163.41 16.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 150.27 166.28 13.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -31.52 20.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.8 m -85.26 149.33 25.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.796 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.8 p -71.42 -42.62 68.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.9 m -155.03 170.75 21.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -133.87 157.38 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.6 -162.25 33.93 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -153.32 119.03 5.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.2 p -97.61 153.65 18.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.05 83.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.45 121.69 44.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 44' ' ' VAL . 2.4 p -129.69 -3.92 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 m -133.57 168.64 18.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -65.45 -34.5 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.93 -40.86 95.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.78 -42.43 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.799 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.45 -45.97 74.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -63.09 -41.63 99.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.57 -40.01 95.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 4.4 t -64.65 -45.2 87.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.687 HD23 HG21 ' A' ' 106' ' ' VAL . 14.2 tp -59.74 -38.35 81.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -63.59 -48.26 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 56' ' ' GLN . 8.8 pttp -67.61 -34.52 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.482 ' N ' ' HG3' ' A' ' 55' ' ' LYS . 29.1 mm-40 -66.72 -46.31 75.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 ' HG ' ' A' ' 107' ' ' LEU . 79.6 mt -65.03 -45.5 85.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -65.92 -41.66 91.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -68.22 -37.55 80.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.425 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 14.3 t -64.77 -40.65 95.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CE2' HD12 ' A' ' 82' ' ' ILE . 7.6 m-85 -83.64 2.69 36.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.8 t -62.84 149.59 43.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.4 ptt85 -56.52 -44.24 80.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -68.7 -42.28 77.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 4.1 t30 -62.89 -44.22 96.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 72' ' ' LEU . 91.8 mt -61.29 -45.54 94.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -66.86 -32.17 73.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.786 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -85.11 -17.97 35.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -101.51 75.53 1.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.8 mt -54.38 -28.93 46.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -68.66 -47.0 67.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD23 HD23 ' A' ' 66' ' ' LEU . 15.8 tp -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 66' ' ' LEU . 71.9 mt -66.68 -38.61 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.058 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.3 t -69.6 -28.52 66.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -82.49 -26.32 32.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.492 ' HE3' HD11 ' A' ' 82' ' ' ILE . 17.6 mtt -45.59 170.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . 21.0 t70 -106.79 166.57 10.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -51.96 -27.41 13.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.5 31.11 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.973 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 54.01 30.95 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.973 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.498 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 9.6 m-85 -102.06 137.36 40.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.53 HG23 ' HD2' ' A' ' 83' ' ' PRO . 28.7 mt -110.14 136.89 20.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.548 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.4 Cg_endo -69.72 133.65 26.17 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.616 HD13 HD21 ' A' ' 104' ' ' LEU . 45.2 mt -64.98 -27.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.175 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.548 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 3.1 p-90 -64.76 -32.0 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -68.91 -41.69 77.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.498 HG11 ' CD2' ' A' ' 57' ' ' LEU . 47.2 t -76.96 -36.38 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.82 -26.05 63.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.045 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -79.82 -19.22 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.43 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 7.8 mtt -47.65 143.0 4.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -64.04 -51.95 61.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 93' ' ' ILE . 25.0 pm0 -62.22 -30.6 71.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 92' ' ' GLU . 19.9 mm -73.86 -37.56 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -67.68 -39.41 84.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -73.9 -32.84 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 92.8 mt -85.04 -28.18 25.86 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.761 HG23 HD23 ' A' ' 102' ' ' LEU . 40.3 m -154.84 135.34 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -126.95 40.08 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.455 ' H ' HG22 ' A' ' 97' ' ' THR . 6.0 t70 -146.6 137.45 12.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -45.19 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 0.0 112.299 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -62.35 -39.61 93.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.81 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.761 HD23 HG23 ' A' ' 97' ' ' THR . 26.9 tp -62.95 -47.23 84.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 61.3 mt -63.35 -48.02 89.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.128 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.616 HD21 HD13 ' A' ' 84' ' ' ILE . 27.1 mt -57.25 -38.05 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -65.82 -43.58 88.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.687 HG21 HD23 ' A' ' 53' ' ' LEU . 77.7 t -62.72 -44.59 99.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.841 HD23 HG21 ' A' ' 113' ' ' VAL . 21.4 mt -63.62 -47.91 79.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -67.86 -29.44 68.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -74.57 -28.13 60.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m -94.14 133.31 27.63 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.658 0.742 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -44.27 2.23 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.727 2.284 . . . . 0.0 112.383 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 25.4 mtp -45.03 -22.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.841 HG21 HD23 ' A' ' 107' ' ' LEU . 35.9 m -133.75 142.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -129.67 126.95 39.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.435 HG12 ' HA2' ' A' ' 119' ' ' GLY . 15.4 t -96.1 132.61 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 119' ' ' GLY . 28.1 t70 -53.18 136.14 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 116' ' ' ASP . 35.2 tt0 -34.19 -46.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -59.99 -46.35 89.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 94.94 45.93 2.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -120.82 -30.22 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.972 0.415 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -137.33 154.98 49.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.547 HG21 HD22 ' A' ' 107' ' ' LEU . 2.5 p -135.84 145.98 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.498 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.2 ptp180 -131.09 151.16 78.44 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.704 0.764 . . . . 0.0 110.849 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 116.2 4.46 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.627 2.218 . . . . 0.0 112.38 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.2 m -69.84 99.6 1.41 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -51.05 -37.54 46.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.8 167.12 20.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.3 114.17 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.5 t -87.32 105.34 17.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.573 ' H ' HD12 ' A' ' 130' ' ' ILE . 5.4 mp -73.61 79.21 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 42.9 p -49.13 138.59 11.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 108.98 160.94 19.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.46 34.89 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.737 2.291 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 68.7 m -52.93 118.4 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.6 t -93.64 152.77 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.5 p -49.1 169.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -109.0 -51.63 2.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.5 72.72 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.8 p -95.95 40.97 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 m -109.06 160.26 16.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.52 -62.31 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.16 110.16 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.7 t -84.17 134.1 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.4 m -129.51 173.03 10.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.9 p -60.05 -33.79 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -62.27 -42.26 99.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -69.84 -42.85 73.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 mt -62.71 -44.76 95.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.8 ttmt -62.35 -45.0 95.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -63.71 -41.57 98.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.0 m -60.92 -47.32 86.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD22 ' OG1' ' A' ' 97' ' ' THR . 9.0 tp -60.04 -39.3 85.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -62.14 -42.84 99.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -67.02 -35.04 79.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 38.8 mm-40 -65.59 -47.86 74.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 82.2 mt -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -66.96 -43.05 84.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -69.89 -43.77 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 13.3 t -65.56 -30.23 70.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 82' ' ' ILE . 5.3 m-85 -89.99 2.1 55.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.1 t -64.91 155.17 35.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -71.01 -41.12 71.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -67.53 -38.46 84.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 72' ' ' LEU . 42.9 mt -66.01 -44.6 84.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -66.46 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -83.33 -22.08 32.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.436 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.5 t0 -91.77 76.06 5.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.2 mt -54.85 -36.38 65.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -62.41 -46.43 88.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.836 HD23 HD23 ' A' ' 66' ' ' LEU . 15.6 tp -60.73 -38.61 85.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.8 mt -66.94 -38.57 81.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.8 t -70.07 -28.96 65.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -83.01 -24.28 32.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.478 ' CE ' HD22 ' A' ' 66' ' ' LEU . 20.7 mtt -50.93 172.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -111.23 179.52 4.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 p -58.87 -41.02 86.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.96 37.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 50.46 35.42 11.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 7.1 m-85 -99.3 139.97 34.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.53 HD12 ' CE2' ' A' ' 61' ' ' PHE . 10.9 mt -111.92 136.24 21.22 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.665 0.745 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.586 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.8 Cg_endo -69.71 128.94 16.8 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.639 2.226 . . . . 0.0 112.38 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.664 HD13 HD21 ' A' ' 104' ' ' LEU . 55.1 mt -58.98 -32.12 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.6 p-90 -59.03 -43.4 91.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.481 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 19.0 m -62.13 -37.09 83.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 57' ' ' LEU . 92.7 t -73.3 -45.07 53.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.61 -15.7 62.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.86 -15.23 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.3 mtt -55.79 134.89 51.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.87 -52.03 65.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.06 -39.45 89.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.4 mm -69.78 -34.4 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.182 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' HG23 ' A' ' 98' ' ' THR . 37.3 mtpt -73.63 -41.34 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -71.74 -26.19 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 86.6 mt -95.29 -30.03 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.963 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.912 HG23 HD23 ' A' ' 102' ' ' LEU . 51.3 m -150.38 119.85 6.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 94' ' ' LYS . 33.6 p -110.88 36.33 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.442 ' H ' HG22 ' A' ' 97' ' ' THR . 5.8 t70 -137.36 134.42 18.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -44.96 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.02 -38.62 91.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.837 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.912 HD23 HG23 ' A' ' 97' ' ' THR . 27.4 tp -62.85 -47.37 83.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.4 mt -61.3 -43.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.664 HD21 HD13 ' A' ' 84' ' ' ILE . 33.1 mt -60.7 -38.92 86.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -63.88 -44.94 91.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.482 HG21 HD23 ' A' ' 53' ' ' LEU . 61.9 t -61.88 -45.61 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.814 ' O ' HG23 ' A' ' 113' ' ' VAL . 35.2 mt -63.14 -48.95 76.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 -69.43 -20.58 63.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 t -86.36 -23.89 26.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.635 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.2 m -79.5 126.61 80.58 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -14.69 36.2 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 22.0 mtp -87.65 -18.31 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 107' ' ' LEU . 32.8 m -130.12 152.1 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.62 129.09 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 47.6 t -98.5 123.93 51.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -40.57 140.63 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -42.7 -52.86 4.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -60.38 -42.84 96.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.12 57.93 1.05 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -126.74 -30.01 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -142.73 154.65 44.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.477 HG21 HD22 ' A' ' 107' ' ' LEU . 2.3 p -133.17 144.27 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.1 ptp180 -134.06 144.68 52.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.34 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.6 t -62.57 104.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -93.12 35.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtp -94.97 165.1 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 42.85 46.26 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.0 p -56.7 132.25 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.2 mm -74.73 92.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.1 m -101.79 104.75 15.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -93.3 -158.83 34.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.455 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -19.98 35.14 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.737 2.292 . . . . 0.0 112.284 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 14.9 m -49.75 153.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 77.2 p -142.58 160.48 40.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 t -148.03 119.28 7.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.862 0.363 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 p -116.38 160.33 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -142.88 108.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.0 m -40.31 120.5 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -61.84 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -153.25 -145.31 4.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 44' ' ' VAL . . . -95.26 99.32 11.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 43' ' ' ALA . 32.7 m 32.08 42.09 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 m -61.99 178.07 0.39 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.638 ' HA ' HD12 ' A' ' 49' ' ' LEU . 3.3 m -57.86 -36.49 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.33 -42.81 92.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -69.43 -29.89 67.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 46' ' ' THR . 26.6 mt -72.32 -43.41 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -63.82 -45.06 91.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -66.04 -44.15 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.4 t -62.71 -48.02 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 12.9 tp -59.92 -39.29 84.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -62.06 -43.3 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -67.0 -35.53 80.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 35.2 mm-40 -65.86 -48.44 71.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.782 HD13 ' HG ' ' A' ' 107' ' ' LEU . 38.0 mt -64.36 -43.06 95.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -66.47 -45.97 77.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 6.1 t80 -67.4 -41.23 85.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.8 m -66.21 -32.05 73.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -94.34 5.92 50.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.9 m -66.55 160.48 25.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.92 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -61.69 -45.75 92.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -68.61 -42.51 78.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -68.28 -35.1 77.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 72' ' ' LEU . 34.7 mt -66.44 -45.06 81.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -69.55 -30.71 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -81.8 -33.64 30.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.956 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -80.36 85.28 5.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.79 -35.56 76.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -63.97 -47.01 82.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.944 HD23 HD23 ' A' ' 66' ' ' LEU . 13.6 tp -59.43 -45.68 90.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 66' ' ' LEU . 62.2 mt -65.14 -33.31 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 t -69.66 -30.95 68.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -81.99 -26.63 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.8 mtt -43.41 166.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -113.28 170.32 8.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -49.9 -25.25 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -109.26 51.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER 33.07 36.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.979 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 79' ' ' ASP . 8.1 m-85 -102.88 138.94 39.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 83' ' ' PRO . 24.4 mt -117.46 136.79 23.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.615 0.721 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.591 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.9 Cg_endo -69.74 125.97 12.78 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.38 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -58.25 -32.18 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.591 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.01 -36.98 75.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.9 m -63.32 -39.27 94.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.645 HG11 ' CD2' ' A' ' 57' ' ' LEU . 61.3 t -75.98 -36.9 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.75 -22.96 63.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -86.06 -14.18 45.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.401 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 11.6 mtt -53.05 136.65 34.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.06 -44.17 94.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.5 -40.75 96.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.401 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 33.7 mm -71.45 -29.73 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -73.22 -40.77 64.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -73.36 -29.93 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 70.7 mt -87.97 -32.16 19.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.792 HG23 HD23 ' A' ' 102' ' ' LEU . 52.3 m -147.19 137.4 23.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 38.2 p -124.32 31.07 5.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.606 ' H ' HG22 ' A' ' 97' ' ' THR . 4.8 t70 -134.59 135.84 24.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 110.832 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -45.07 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.238 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -38.29 90.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.792 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -63.14 -48.05 80.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.5 mt -61.22 -50.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 84' ' ' ILE . 27.6 mt -57.17 -36.11 70.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -64.01 -45.04 90.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 93.4 t -62.73 -47.2 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.782 ' HG ' HD13 ' A' ' 57' ' ' LEU . 22.5 mt -62.34 -49.11 76.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -71.93 -17.32 62.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.8 m -84.41 -27.1 27.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -96.18 137.79 21.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.648 0.737 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' VAL . 54.4 Cg_endo -69.65 -49.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 125' ' ' SER . 38.0 mtp -34.21 -33.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.683 HG21 HD23 ' A' ' 107' ' ' LEU . 31.1 m -128.63 163.2 33.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -142.55 136.65 29.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.52 HG13 HD11 ' A' ' 84' ' ' ILE . 61.8 t -102.42 121.44 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -39.28 159.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -59.23 -36.67 75.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -77.25 -35.52 55.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.86 51.86 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -123.99 -35.76 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.946 0.403 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -135.98 143.81 45.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 115' ' ' VAL . 1.7 m -124.86 148.91 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -131.84 143.67 50.04 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.05 1.77 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.237 . . . . 0.0 112.383 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 112' ' ' MET . 20.3 t -75.86 112.22 12.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -96.73 32.57 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.809 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -132.82 118.32 18.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 128' ' ' ARG . 0.4 OUTLIER -134.28 169.91 16.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.04 139.86 18.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 71.7 mt -50.01 110.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 20.4 t -81.42 -48.15 12.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.08 147.33 5.05 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -20.84 34.38 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -71.08 116.96 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.4 t -59.42 146.38 40.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.538 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.4 p -140.73 131.24 25.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 p -133.04 144.55 50.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.36 113.22 2.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.515 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.3 m -88.92 81.74 6.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.4 t -135.11 138.08 43.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.59 -43.35 6.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -104.32 87.26 2.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.042 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -50.77 147.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.7 p -97.54 169.95 9.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 t -58.49 -31.71 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.36 -42.69 92.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.6 -45.71 74.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.34 -45.39 91.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -64.42 -45.01 89.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.29 -41.9 97.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -59.53 -49.31 78.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD11 HD11 ' A' ' 57' ' ' LEU . 9.7 tp -59.97 -40.59 89.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -62.14 -42.01 98.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -67.05 -35.11 79.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.429 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 50.4 mm-40 -66.28 -49.59 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.69 HD13 ' HG ' ' A' ' 107' ' ' LEU . 40.0 mt -65.02 -44.94 87.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -65.97 -45.96 79.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 33.9 t80 -68.58 -39.19 81.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -64.77 -34.6 78.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -88.45 1.28 55.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 t -61.6 157.87 16.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 mmt85 -61.38 -45.3 94.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 65' ' ' ASN . 8.6 pt-20 -70.35 -43.0 71.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.2 OUTLIER -65.35 -37.73 87.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.704 ' O ' HD11 ' A' ' 73' ' ' ILE . 20.3 mt -66.09 -45.6 80.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -70.32 -25.15 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -86.28 -33.36 20.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 24.7 t0 -83.14 78.02 9.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 39.5 mt -56.04 -33.49 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -65.67 -46.77 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.652 HD23 HD23 ' A' ' 66' ' ' LEU . 13.5 tp -60.02 -42.03 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 66' ' ' LEU . 56.9 mt -63.88 -41.41 92.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.1 t -69.63 -26.9 64.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.807 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -83.1 -26.42 31.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.423 ' CG ' HG12 ' A' ' 82' ' ' ILE . 11.1 mtt -47.33 173.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 7.6 t0 -107.56 -175.05 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 89.6 p -61.24 -44.46 97.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.15 26.67 1.15 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.61 32.35 18.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 77' ' ' ASP . 13.7 m-85 -101.29 138.05 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.478 HG23 ' HD2' ' A' ' 83' ' ' PRO . 16.2 mt -111.97 136.54 21.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.541 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.3 Cg_endo -69.8 137.02 34.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.944 HD13 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -65.43 -27.98 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -64.44 -40.69 96.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.501 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 4.7 m -60.91 -45.03 96.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.447 HG13 ' SD ' ' A' ' 90' ' ' MET . 89.3 t -77.33 -34.63 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.92 -27.54 69.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 86' ' ' THR . 0.6 OUTLIER -79.0 -21.14 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.447 ' SD ' HG13 ' A' ' 87' ' ' VAL . 8.8 mtt -45.48 131.82 8.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.66 -46.38 87.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.08 -38.81 92.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 38.5 mm -71.49 -36.78 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -70.65 -40.3 73.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -73.86 -30.24 62.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 84.2 mt -87.71 -29.56 21.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.579 HG23 HD23 ' A' ' 102' ' ' LEU . 31.7 m -162.09 113.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.93 33.11 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 97' ' ' THR . 5.1 t70 -126.04 130.19 24.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.609 0.719 . . . . 0.0 110.859 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -45.03 1.72 Allowed 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.721 2.28 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -62.05 -41.58 98.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.579 HD23 HG23 ' A' ' 97' ' ' THR . 22.7 tp -63.96 -42.65 97.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 65.1 mt -65.9 -44.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.944 HD21 HD13 ' A' ' 84' ' ' ILE . 41.9 mt -60.16 -40.6 90.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -65.07 -43.62 91.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.515 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.8 t -61.1 -44.62 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.064 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.7 mt -65.67 -49.05 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -71.85 -16.92 62.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -86.87 -24.49 24.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.632 ' HB3' HG22 ' A' ' 113' ' ' VAL . 7.9 t -88.01 131.22 43.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.656 0.741 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -18.18 37.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.337 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.0 mtp -78.61 -12.38 60.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 107' ' ' LEU . 27.7 m -140.86 152.27 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -136.88 123.19 20.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 122' ' ' VAL . 38.6 t -95.67 127.57 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.63 138.37 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -38.42 -50.08 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.81 -43.96 81.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.88 55.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -130.11 -32.46 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -136.91 146.37 45.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.422 ' HB ' HG22 ' A' ' 115' ' ' VAL . 3.0 p -128.92 146.35 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.461 ' HD2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 ptm180 -134.01 147.57 64.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.26 3.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.317 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.4 p -79.73 115.76 19.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -91.25 31.18 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -115.55 80.92 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -89.94 166.34 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 84.5 m -83.54 120.99 26.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.1 tt -60.5 -14.07 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -157.59 165.41 35.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.84 -165.6 36.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.421 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -26.91 26.81 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.366 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.6 t -95.88 156.03 16.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 49.4 m -112.95 167.2 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.439 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m 44.29 42.23 5.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.959 0.409 . . . . 0.0 110.929 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.9 p -95.66 -48.04 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.25 72.52 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 t -114.71 103.83 11.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.943 0.401 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 t -158.9 150.34 20.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.61 -173.9 22.08 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.57 143.2 50.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.874 0.369 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 44' ' ' VAL . 13.1 p -101.55 120.05 50.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.143 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.2 m -104.62 170.22 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -58.48 -35.56 72.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.09 -42.99 95.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.75 -47.94 67.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.8 mt -59.41 -45.76 90.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -61.49 -44.96 96.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.896 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.67 -37.48 87.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.4 m -61.41 -49.74 75.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.701 ' CD2' HG21 ' A' ' 106' ' ' VAL . 13.4 tp -59.89 -40.97 90.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -62.82 -41.51 99.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -67.17 -34.94 78.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.21 -48.37 68.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.532 HD12 ' CG1' ' A' ' 106' ' ' VAL . 50.8 mt -63.06 -45.47 92.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.59 -45.98 81.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 16.1 t80 -64.48 -45.84 85.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.7 t -62.94 -30.87 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.81 -0.41 57.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.9 m -62.18 156.3 22.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -60.32 -45.79 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -68.36 -43.08 78.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -64.12 -40.92 97.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 72' ' ' LEU . 27.2 mt -63.33 -45.74 89.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.541 ' HA ' HD11 ' A' ' 73' ' ' ILE . 45.7 t -77.25 -15.46 59.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -91.69 -30.87 16.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -91.36 91.58 8.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -56.46 -43.17 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.0 -46.99 86.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.745 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -58.75 -44.58 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' O ' ' A' ' 66' ' ' LEU . 77.1 mt -62.02 -39.46 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.2 t -69.56 -26.42 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.804 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -84.51 -23.6 29.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' HE1' HD13 ' A' ' 66' ' ' LEU . 11.3 mtt -48.02 173.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t0 -108.24 -174.97 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.5 t -65.28 -37.31 86.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 5.2 t0 -99.04 27.91 4.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 63.37 52.96 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' ASP . 22.1 m-85 -119.51 140.8 49.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.537 HG23 ' HD2' ' A' ' 83' ' ' PRO . 50.7 mt -112.1 136.95 21.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.584 0.707 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.596 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.4 Cg_endo -69.65 138.94 39.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.881 HD13 HD21 ' A' ' 104' ' ' LEU . 46.8 mt -66.04 -30.45 50.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.596 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 4.9 p-90 -62.57 -39.97 95.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 5.8 m -63.1 -42.1 99.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.093 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.14 -35.49 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.08 -20.3 61.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 85' ' ' TRP . 2.4 m-80 -89.01 -14.11 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.441 ' CB ' HG12 ' A' ' 93' ' ' ILE . 7.6 mtt -56.39 131.34 48.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -54.98 -50.77 68.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -39.34 82.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 HG12 ' CB ' ' A' ' 90' ' ' MET . 29.0 mm -72.31 -33.29 45.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -73.44 -39.74 64.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.54 -29.1 62.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.52 -31.54 19.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.631 HG23 HD23 ' A' ' 102' ' ' LEU . 6.2 m -156.26 127.74 7.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.4 40.91 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -138.71 134.08 17.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -39.88 5.98 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.18 -42.28 89.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.782 ' O ' HG23 ' A' ' 106' ' ' VAL . 36.3 tp -62.92 -44.61 95.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 67.5 mt -65.38 -46.99 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.881 HD21 HD13 ' A' ' 84' ' ' ILE . 49.1 mt -57.87 -39.97 79.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 109' ' ' SER . 43.3 tt0 -66.11 -40.37 90.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 102' ' ' LEU . 50.3 t -65.23 -43.57 95.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.655 ' O ' HG23 ' A' ' 113' ' ' VAL . 28.1 mt -66.07 -49.15 68.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 108' ' ' ARG . 13.6 ttm105 -72.19 -17.23 61.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 105' ' ' GLU . 17.6 t -86.01 -25.41 25.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.447 ' HB2' HG22 ' A' ' 113' ' ' VAL . 5.4 m -78.06 128.41 78.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -7.72 21.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 125' ' ' SER . 36.3 mtp -93.6 -27.3 16.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 107' ' ' LEU . 15.2 m -131.01 147.84 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.847 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.0 mp0 -133.34 141.79 48.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 83.8 t -99.41 131.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 117' ' ' GLU . 10.6 t70 -44.15 138.82 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' ASP . 19.4 tp10 -37.82 -52.15 1.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -47.08 85.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.48 60.45 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -129.46 -33.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -141.12 153.07 45.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 114' ' ' GLN . 7.6 p -130.02 134.92 62.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.407 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 13.2 ptt180 -119.82 144.0 36.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.48 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 112' ' ' MET . 1.8 m -60.1 99.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -91.16 39.26 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -153.43 148.56 26.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -103.25 162.98 12.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.96 153.08 21.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.1 mt -106.26 -44.14 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -120.11 95.79 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.23 -158.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 143.11 49.39 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.61 2.207 . . . . 0.0 112.33 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 85.2 p -78.27 128.71 34.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.9 p -90.13 119.36 30.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.1 p -48.98 122.45 5.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.909 0.385 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.0 p -174.62 154.98 2.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.36 120.1 0.6 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -139.36 112.95 8.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.8 p -115.1 158.95 21.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.22 140.77 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.65 142.54 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 45' ' ' SER . 26.9 m -106.82 -44.46 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.511 ' N ' HG23 ' A' ' 44' ' ' VAL . 5.9 t -174.18 112.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.636 ' HA ' HD12 ' A' ' 49' ' ' LEU . 39.6 m -59.21 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -60.95 -42.81 98.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -73.96 -35.78 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 46' ' ' THR . 19.6 mt -67.23 -46.95 72.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -44.99 90.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -63.16 -38.92 93.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 m -61.9 -47.64 84.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.646 HD23 HG21 ' A' ' 106' ' ' VAL . 10.4 tp -59.92 -41.18 91.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 27.4 ttpt -61.97 -40.59 96.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -67.07 -40.04 86.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 29.1 mm-40 -62.81 -45.19 93.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.704 HD13 ' HG ' ' A' ' 107' ' ' LEU . 94.2 mt -64.88 -44.07 90.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.06 -45.98 79.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -66.07 -42.8 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -65.79 -31.35 72.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.95 -0.02 57.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.5 t -58.6 158.72 7.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -61.57 -45.89 92.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -70.28 -42.37 72.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -38.32 88.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 72' ' ' LEU . 38.3 mt -65.67 -45.12 84.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.7 t -75.13 -17.65 60.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mtpt -94.11 -29.24 15.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -86.54 81.48 8.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.89 -40.36 69.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -59.53 -46.88 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.793 HD23 HD23 ' A' ' 66' ' ' LEU . 14.2 tp -59.45 -41.31 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.69 HD11 ' O ' ' A' ' 66' ' ' LEU . 43.1 mt -68.43 -35.77 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.93 -27.53 64.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -85.77 -26.31 25.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.8 mtt -44.7 165.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' PHE . 23.1 t70 -102.58 176.69 5.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -56.26 -38.74 71.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -92.57 28.53 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 58.84 32.83 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 14.8 m-85 -102.99 138.0 40.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.545 HG23 ' HD2' ' A' ' 83' ' ' PRO . 41.3 mt -103.43 137.12 19.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 82' ' ' ILE . 54.5 Cg_endo -69.65 138.5 38.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.533 HD13 HD21 ' A' ' 104' ' ' LEU . 82.8 mt -66.04 -31.39 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.497 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.0 p-90 -59.32 -39.74 84.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.409 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 45.1 m -65.78 -43.97 87.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.19 -45.12 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.15 61.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.09 -22.51 27.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.455 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 9.0 mtp -48.32 140.59 7.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.83 -50.17 74.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -64.07 -39.87 95.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.455 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 30.9 mm -68.99 -32.38 54.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -72.21 -45.77 58.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -68.73 -28.53 66.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.407 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 59.1 mt -86.5 -33.73 20.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.837 HG23 HD23 ' A' ' 102' ' ' LEU . 96.7 m -151.26 141.54 22.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 64.3 p -125.69 27.71 6.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 97' ' ' THR . 3.9 t70 -132.17 136.79 28.73 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -43.38 2.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.255 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -61.96 -41.43 97.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.837 HD23 HG23 ' A' ' 97' ' ' THR . 25.5 tp -63.02 -45.01 94.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.28 -44.59 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.19 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 HD13 ' A' ' 84' ' ' ILE . 26.8 mt -62.13 -36.57 82.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -64.97 -44.39 89.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.646 HG21 HD23 ' A' ' 53' ' ' LEU . 99.3 t -60.98 -46.44 96.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.704 ' HG ' HD13 ' A' ' 57' ' ' LEU . 26.1 mt -63.24 -48.11 79.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -63.42 -33.1 74.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -75.79 -11.07 59.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 t -99.9 119.18 60.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -5.52 16.39 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.618 2.212 . . . . 0.0 112.4 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.8 mtp -90.46 8.26 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 107' ' ' LEU . 20.9 m -151.05 160.95 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 122' ' ' VAL . 16.0 tp60 -125.07 131.8 53.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.2 127.72 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 119' ' ' GLY . 27.6 t70 -53.13 134.7 38.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 116' ' ' ASP . 73.9 mm-40 -35.66 -41.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.2 mtmm -78.53 -41.14 33.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 116' ' ' ASP . . . 98.92 49.92 1.55 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.446 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -110.17 -32.91 6.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.937 0.398 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -139.89 148.78 42.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 114' ' ' GLN . 4.7 p -133.05 135.87 56.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.531 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 18.4 ptt180 -129.21 151.31 77.53 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.676 0.75 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 122.99 9.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 81.2 p -99.96 109.68 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -111.56 37.54 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -92.88 42.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -160.64 143.78 13.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 73.9 m -78.22 112.26 15.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.02 -38.15 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 t 58.71 46.12 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 117.92 83.67 0.94 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.423 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -3.2 11.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.673 2.248 . . . . 0.0 112.377 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.4 p 56.66 43.99 24.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 32.3 t -125.73 116.47 21.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.474 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.3 p -115.18 123.7 49.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -83.32 -62.66 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.88 70.07 0.63 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.559 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 m -73.73 124.83 26.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.836 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.3 m -124.38 164.17 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.23 -117.96 4.8 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.31 114.04 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.35 82.18 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -72.61 -38.85 67.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 47' ' ' GLU . 9.1 t -65.45 -41.75 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' HG23 ' A' ' 46' ' ' THR . 13.4 tt0 -67.46 -42.95 82.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 48' ' ' ASP . 3.6 t0 -68.31 -36.8 79.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD22 ' O ' ' A' ' 96' ' ' LEU . 41.6 mt -70.66 -47.03 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -64.95 -45.05 87.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.22 -38.36 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 54.2 m -65.63 -50.48 64.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.95 -37.59 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.77 -44.11 97.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 58.2 mm-40 -64.78 -49.93 68.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.684 HD22 HD21 ' A' ' 107' ' ' LEU . 70.5 mt -60.43 -44.97 95.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -61.57 -46.02 91.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -69.38 -35.44 75.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.419 ' SG ' ' CE ' ' A' ' 90' ' ' MET . 3.2 t -67.4 -38.34 84.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' CD2' HG12 ' A' ' 113' ' ' VAL . 17.3 m-85 -85.08 -0.45 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 p -59.17 154.15 16.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 26.1 mtm105 -61.54 -42.5 98.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.99 -42.72 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.45 -38.67 84.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 72' ' ' LEU . 54.2 mt -64.04 -43.96 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 73' ' ' ILE . 41.2 t -72.91 -29.13 62.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.828 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -83.94 -28.17 28.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -86.37 77.36 9.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 41.0 mt -53.82 -31.04 47.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -66.19 -46.87 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.017 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.975 HD23 HD23 ' A' ' 66' ' ' LEU . 13.9 tp -61.86 -40.4 95.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.611 HD11 ' O ' ' A' ' 66' ' ' LEU . 54.8 mt -66.19 -36.79 78.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -68.83 -32.68 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -82.28 -22.97 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.515 ' CE ' HD22 ' A' ' 66' ' ' LEU . 22.8 mtt -52.0 169.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.68 -179.09 3.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.9 t -57.01 -45.1 83.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' HB2' ' CD2' ' A' ' 81' ' ' PHE . 1.2 m-20 -84.59 20.59 1.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 62.96 27.77 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 123' ' ' ARG . 4.9 m-85 -89.61 137.05 32.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 83' ' ' PRO . 51.9 mt -110.53 137.84 20.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.622 0.725 . . . . 0.0 111.201 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.806 HD13 HD21 ' A' ' 104' ' ' LEU . 41.5 mt -59.7 -32.31 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.577 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.8 p-90 -59.65 -39.0 82.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 85' ' ' TRP . 4.3 m -64.16 -43.81 94.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -65.19 -45.09 94.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.218 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.59 -18.2 61.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.0 -9.55 53.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.45 ' CB ' HG12 ' A' ' 93' ' ' ILE . 5.4 mtt -56.71 139.62 49.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -61.04 -50.99 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -63.34 -37.08 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.45 HG12 ' CB ' ' A' ' 90' ' ' MET . 17.1 mm -71.06 -36.26 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -69.6 -43.44 72.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.49 -31.82 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.954 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 83.5 mt -79.4 -37.17 37.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 99' ' ' ASP . 35.9 m -165.85 144.19 5.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.7 p -117.26 22.48 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.833 ' H ' HG22 ' A' ' 97' ' ' THR . 2.4 t70 -102.4 121.99 48.09 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.569 0.699 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -37.84 8.6 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.763 2.309 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -64.15 -41.87 97.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.826 HD23 HG21 ' A' ' 97' ' ' THR . 28.8 tp -63.05 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.98 -48.46 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.806 HD21 HD13 ' A' ' 84' ' ' ILE . 24.4 mt -61.7 -38.23 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.37 -44.88 86.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.59 ' CG1' HD12 ' A' ' 57' ' ' LEU . 75.3 t -61.8 -44.07 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.684 HD21 HD22 ' A' ' 57' ' ' LEU . 36.8 mt -64.02 -49.07 73.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -68.89 -16.94 63.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -87.18 -20.13 27.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 m -96.47 132.96 25.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -32.04 19.15 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.76 2.307 . . . . 0.0 112.278 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 50.4 mtp -60.25 -23.34 64.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 107' ' ' LEU . 20.5 m -129.65 149.58 33.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -134.58 129.09 34.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.473 HG22 ' HB ' ' A' ' 122' ' ' VAL . 58.8 t -97.44 128.22 48.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.065 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -48.26 146.82 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -44.36 -50.73 9.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -59.41 -43.23 93.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.35 51.46 2.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -123.23 -21.97 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -148.13 155.77 41.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.473 ' HB ' HG22 ' A' ' 115' ' ' VAL . 1.6 p -134.95 144.7 33.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.574 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 1.6 ptp180 -131.41 147.53 66.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.91 109.76 2.42 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.278 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 89.4 p -39.98 125.4 1.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -96.45 18.88 13.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.88 120.4 41.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -37.94 115.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 35.8 m -153.81 140.92 19.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 27.8 mm -135.35 136.6 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 82.5 p -110.06 168.49 9.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -139.16 151.95 22.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -7.23 20.55 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.3 m -63.29 130.09 43.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 24.8 p -60.65 -178.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.8 m -165.5 165.32 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.4 m -66.77 176.39 2.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.48 -116.36 0.49 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t 47.32 42.27 13.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -101.08 -52.35 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.77 -171.21 23.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.2 38.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.078 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.39 152.6 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.0 t -129.03 -63.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.0 p -59.54 -39.29 83.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.076 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -65.44 -40.73 93.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.4 -34.32 72.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 mt -73.54 -43.74 59.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -45.11 91.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.56 -42.33 95.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.0 m -58.91 -53.13 61.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.008 HD23 HG21 ' A' ' 106' ' ' VAL . 12.6 tp -60.02 -40.78 90.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 110' ' ' SER . 48.4 tttp -62.64 -41.12 98.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -67.12 -37.85 84.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.484 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 13.9 mm100 -62.13 -50.08 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.13 -45.61 92.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -70.97 -38.55 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.4 t -62.98 -41.26 99.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.481 ' CD2' HG12 ' A' ' 113' ' ' VAL . 5.1 m-85 -77.55 5.39 9.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 t -63.67 153.66 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -60.8 -44.11 97.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -70.11 -40.12 75.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -66.92 -42.03 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.731 ' O ' HD11 ' A' ' 73' ' ' ILE . 54.5 mt -64.3 -41.06 97.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.3 t -73.34 -36.75 66.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -78.07 -24.02 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -92.97 81.58 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.7 mt -57.82 -37.56 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.19 -46.87 88.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.677 HD23 HD23 ' A' ' 66' ' ' LEU . 14.5 tp -58.58 -46.94 85.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 66' ' ' LEU . 59.2 mt -62.69 -36.79 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -69.53 -27.38 65.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -82.38 -26.94 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.551 ' CE ' HD22 ' A' ' 66' ' ' LEU . 26.3 mtt -57.65 162.86 2.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.819 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.439 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -102.44 174.61 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 96.3 p -50.88 -32.43 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -90.56 23.67 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 52.03 46.59 26.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.484 ' CE2' ' HD2' ' A' ' 123' ' ' ARG . 13.4 m-85 -115.07 137.07 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.447 ' CG2' ' HD2' ' A' ' 83' ' ' PRO . 6.8 mt -102.73 135.29 19.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.71 137.25 35.15 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.0 mt -64.57 -30.45 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.505 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 1.5 p-90 -60.94 -41.49 96.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.448 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 97.8 m -68.33 -39.97 81.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.8 t -71.58 -35.56 56.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.48 -22.19 47.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -83.53 -10.31 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.414 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 6.4 mtt -58.89 137.2 57.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.02 -49.77 76.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -62.12 -43.79 98.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.414 ' CG1' ' HB2' ' A' ' 90' ' ' MET . 35.4 mm -66.43 -29.85 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 98' ' ' THR . 20.9 mtpp -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -27.6 64.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 93.0 mt -90.96 -30.44 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.561 ' OG1' HD22 ' A' ' 53' ' ' LEU . 22.2 m -149.23 131.5 15.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 94' ' ' LYS . 5.1 p -124.4 28.32 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.9 137.92 29.59 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.638 0.732 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -42.71 3.16 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -63.03 -42.65 99.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.415 HD23 HG23 ' A' ' 97' ' ' THR . 22.3 tp -62.99 -42.19 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.506 HG13 HG21 ' A' ' 97' ' ' THR . 63.3 mt -61.11 -45.72 98.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.0 -35.94 81.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -63.13 -43.58 98.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 1.008 HG21 HD23 ' A' ' 53' ' ' LEU . 98.3 t -63.09 -49.69 82.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 122' ' ' VAL . 31.5 mt -61.71 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 7.7 mmt85 -66.74 -26.2 66.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 t -86.33 -25.34 25.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.501 ' O ' HG22 ' A' ' 113' ' ' VAL . 2.4 t -81.88 116.63 64.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.734 0.778 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -18.85 36.19 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 49.4 mtp -78.5 10.09 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 110' ' ' SER . 34.0 m -144.38 159.94 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 122' ' ' VAL . 17.3 tt0 -130.63 129.12 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 20.5 t -110.22 133.63 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -67.53 144.11 55.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -38.46 -44.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -67.64 -43.75 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 90.05 54.37 2.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.52 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -120.98 -26.48 5.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.995 0.426 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.8 mtmm -140.01 151.28 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.576 HG21 HD22 ' A' ' 107' ' ' LEU . 6.6 p -135.84 137.75 48.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.484 ' HD2' ' CE2' ' A' ' 81' ' ' PHE . 10.5 ptm180 -127.47 150.14 71.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.579 0.704 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 110.77 2.63 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.757 2.305 . . . . 0.0 112.313 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -79.06 94.48 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -83.91 41.7 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.43 -41.78 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 41.02 40.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 14.2 m -124.96 116.7 22.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.3 mt -70.01 88.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.1 p -143.54 157.01 44.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 113.52 76.9 0.76 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 93.29 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.356 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 95.0 p -108.33 102.76 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.807 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.5 p -107.72 83.28 1.78 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.0 p -57.15 127.77 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 110.824 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.9 t -83.56 -56.56 3.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.856 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.79 135.35 5.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.5 t -77.33 121.64 24.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -92.56 -48.68 6.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 146.18 -43.53 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.56 123.31 26.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -81.85 139.64 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.8 m -120.76 172.68 7.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 t -58.81 -35.24 72.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.46 -40.2 90.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -71.97 -47.45 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.1 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -64.56 -44.86 89.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -62.61 -44.54 96.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.3 m -58.23 -48.3 80.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 106' ' ' VAL . 11.4 tp -59.97 -36.82 77.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -61.65 -46.03 91.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.5 -37.15 86.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.485 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 16.2 mm100 -63.52 -49.36 73.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.558 HD13 ' HG ' ' A' ' 107' ' ' LEU . 74.2 mt -65.02 -44.64 88.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.68 -46.01 87.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -71.46 -35.76 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' HA ' ' ND2' ' A' ' 65' ' ' ASN . 24.1 m -67.89 -31.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.767 ' CE2' HD12 ' A' ' 82' ' ' ILE . 12.0 m-85 -95.4 4.45 53.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -61.52 153.1 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -59.83 -44.3 94.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -69.0 -43.58 74.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 60' ' ' CYS . 7.1 t30 -64.26 -38.91 92.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 72' ' ' LEU . 43.2 mt -64.28 -45.14 89.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.6 t -69.02 -25.79 64.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -86.61 -31.96 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 32.3 t0 -84.91 79.24 9.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 mt -53.72 -37.42 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -61.84 -47.02 86.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.874 HD23 HD23 ' A' ' 66' ' ' LEU . 14.8 tp -60.42 -39.45 87.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 66' ' ' LEU . 55.2 mt -65.17 -40.22 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.078 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -69.05 -28.11 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -82.39 -26.35 32.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.4 mtt -46.21 168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.22 -174.75 2.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 34.2 t -65.24 -49.37 69.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 81' ' ' PHE . 11.4 t0 -85.69 24.51 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 78' ' ' SER . 13.1 mp0 63.69 54.99 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 24.2 m-85 -122.82 137.62 54.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 61' ' ' PHE . 32.7 mt -110.02 136.71 20.41 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.643 0.735 . . . . 0.0 111.151 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.579 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 53.2 Cg_endo -69.81 141.03 43.95 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.635 2.223 . . . . 0.0 112.324 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.085 HD13 HD21 ' A' ' 104' ' ' LEU . 57.3 mt -64.96 -29.93 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.587 ' CD2' ' N ' ' A' ' 86' ' ' THR . 2.2 p-90 -60.63 -44.65 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.587 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 8.4 m -63.15 -35.09 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.184 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.12 -45.04 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.71 -20.3 61.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.0 -13.89 55.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 6.2 mtt -53.92 133.93 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -57.81 -50.23 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -61.76 -43.39 98.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 29.2 mm -67.51 -30.32 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -72.48 -44.22 62.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -69.01 -28.23 66.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.485 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 46.4 mt -85.13 -36.24 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 99' ' ' ASP . 31.0 m -159.59 135.1 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 m -119.6 32.13 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.603 ' H ' HG22 ' A' ' 97' ' ' THR . 16.4 t0 -119.32 131.36 24.4 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.526 0.679 . . . . 0.0 110.87 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -45.05 1.77 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.746 2.297 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -64.5 -39.37 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.499 HD23 ' CG2' ' A' ' 97' ' ' THR . 22.4 tp -66.24 -48.04 71.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.79 -51.02 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 84' ' ' ILE . 45.0 mt -56.85 -37.73 71.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.73 -44.42 96.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.817 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.727 HG21 HD23 ' A' ' 53' ' ' LEU . 84.7 t -61.69 -44.01 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.558 ' HG ' HD13 ' A' ' 57' ' ' LEU . 43.9 mt -65.4 -40.96 94.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -69.45 -32.12 70.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 p -80.71 -27.95 36.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -79.77 129.3 71.46 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.737 0.779 . . . . 0.0 110.815 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' VAL . 53.0 Cg_endo -69.75 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 38.0 mtp -39.93 -25.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.512 HG21 ' CD2' ' A' ' 107' ' ' LEU . 5.0 m -130.44 160.68 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -143.37 128.04 18.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.443 HG12 ' HA2' ' A' ' 119' ' ' GLY . 12.8 t -97.98 132.99 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 119' ' ' GLY . 7.9 m-20 -55.21 139.36 42.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 116' ' ' ASP . 7.0 mm-40 -35.77 -48.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -59.96 -46.94 87.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.443 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.66 44.81 2.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -114.15 -28.48 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -144.26 149.96 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 p -129.07 134.96 63.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 9.7 ptt180 -123.57 146.08 48.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 107.77 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 m -57.28 100.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.8 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -58.33 -42.12 86.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -81.0 113.44 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -88.99 88.25 7.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 11.3 t -99.11 88.49 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.4 tp -91.64 132.06 37.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.8 m -100.46 94.78 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.4 -173.23 0.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 114.47 3.72 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 135' ' ' SER . 95.3 p -55.68 134.03 51.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 134' ' ' SER . 1.9 m 36.31 45.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.54 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.426 -0.269 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.4 p -115.82 -56.03 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.1 p 49.62 39.43 17.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.35 -80.62 1.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.555 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t 61.96 35.91 15.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.8 m -113.3 155.42 25.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 42.31 -127.8 4.56 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.51 120.79 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 44' ' ' VAL . 32.5 m -119.84 126.61 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 m -101.7 -49.02 4.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 47' ' ' GLU . 10.2 t -65.79 -40.49 92.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 46' ' ' THR . 71.8 mm-40 -64.89 -42.79 94.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -70.81 -44.93 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.76 -43.16 97.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -64.29 -44.41 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -62.4 -40.53 96.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 98.0 m -62.65 -47.41 83.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 106' ' ' VAL . 9.7 tp -59.9 -41.49 91.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -62.37 -40.92 98.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -67.13 -35.85 80.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 11.6 mm100 -69.17 -46.29 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' A' ' 107' ' ' LEU . 46.5 mt -64.72 -45.46 86.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -66.26 -45.89 78.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.544 ' CE2' ' OD1' ' A' ' 65' ' ' ASN . 87.3 t80 -68.68 -37.77 79.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.2 m -66.47 -34.86 78.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.631 ' CD2' HG11 ' A' ' 113' ' ' VAL . 11.8 m-85 -91.06 5.96 46.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -65.89 154.52 39.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -60.23 -46.01 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.45 -43.96 72.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.544 ' OD1' ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -62.73 -42.68 99.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.981 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 72' ' ' LEU . 34.5 mt -62.09 -46.07 90.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -67.22 -28.16 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -90.58 -9.38 47.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.443 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 20.5 t0 -104.21 74.92 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.789 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.1 mt -53.1 -40.82 64.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -58.12 -45.73 86.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.983 HD23 HD23 ' A' ' 66' ' ' LEU . 15.4 tp -58.59 -48.83 79.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.4 mt -68.07 -29.81 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -65.19 -41.56 94.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.505 ' C ' ' CD ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -82.01 -26.13 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 75' ' ' GLN . 18.2 mtt -43.6 151.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.79 176.9 6.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.8 m -62.53 -30.4 71.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.84 17.04 12.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 62.96 29.74 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.551 ' CZ ' ' HD3' ' A' ' 123' ' ' ARG . 11.9 m-85 -103.17 138.73 39.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.494 HG23 ' NE2' ' A' ' 75' ' ' GLN . 30.6 mt -115.97 136.5 22.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 111.166 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.51 ' HB2' ' CD1' ' A' ' 85' ' ' TRP . 54.1 Cg_endo -69.73 142.87 49.22 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.614 HD13 HD21 ' A' ' 104' ' ' LEU . 61.9 mt -65.63 -28.26 43.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.593 ' CD2' ' N ' ' A' ' 86' ' ' THR . 1.5 p-90 -62.71 -45.76 91.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.593 ' N ' ' CD2' ' A' ' 85' ' ' TRP . 15.8 m -61.42 -38.53 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.9 t -74.71 -40.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.05 -16.76 61.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -89.22 -14.38 36.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 8.7 mtt -53.64 135.48 40.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -57.08 -49.25 76.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -44.61 96.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.81 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 27.6 mm -68.29 -32.02 53.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -75.48 -41.4 55.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -26.86 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 42.5 mt -84.32 -37.02 22.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.818 HG22 ' H ' ' A' ' 99' ' ' ASP . 82.8 m -166.11 144.14 5.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.4 24.65 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.818 ' H ' HG22 ' A' ' 97' ' ' THR . 10.9 t0 -104.03 120.85 49.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -39.54 6.35 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.91 -42.87 99.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.743 HD23 HG21 ' A' ' 97' ' ' THR . 27.0 tp -63.0 -41.61 99.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.94 -49.66 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 84' ' ' ILE . 19.9 mt -59.77 -38.32 81.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -65.53 -43.0 91.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 102' ' ' LEU . 93.6 t -66.96 -44.72 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 HG21 ' A' ' 113' ' ' VAL . 28.2 mt -63.08 -49.04 76.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -18.68 62.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.4 t -85.07 -26.97 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.1 m -90.28 133.2 33.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.686 0.755 . . . . 0.0 110.852 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -31.85 19.58 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 19.6 mtp -57.93 -26.01 61.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.704 HG21 HD23 ' A' ' 107' ' ' LEU . 25.4 m -130.14 150.13 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -132.0 129.75 40.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.413 HG12 ' HA2' ' A' ' 119' ' ' GLY . 21.3 t -98.72 130.68 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.4 t0 -56.82 142.92 39.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.5 mm-40 -36.58 -51.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -58.27 -48.99 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 115' ' ' VAL . . . 96.6 44.68 2.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -116.92 -15.77 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -151.72 149.04 28.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.989 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.594 HG21 HD22 ' A' ' 107' ' ' LEU . 3.2 p -126.42 146.63 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.551 ' HD3' ' CZ ' ' A' ' 81' ' ' PHE . 16.7 ptt180 -135.44 143.93 47.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 112.1 2.98 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -63.92 106.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -89.14 32.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -109.55 84.25 1.89 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -48.92 108.71 0.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 8.2 t -160.48 133.78 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.1 tt -154.73 136.7 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.2 p -91.17 -19.64 22.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.77 82.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.75 115.59 4.16 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.7 t 41.2 41.27 1.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 22.8 t -79.48 127.46 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 t -77.77 107.42 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 m -72.89 -45.04 60.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.61 -164.53 12.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t -164.57 129.9 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -65.83 154.45 39.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.67 177.62 37.42 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 47.29 43.9 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -75.47 164.2 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 t -144.82 178.47 7.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 t -62.47 -30.93 71.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.171 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -64.18 -41.14 97.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -69.61 -45.76 67.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.3 mt -61.39 -45.25 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -63.54 -44.93 92.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -42.73 99.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.57 -46.29 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 HG21 ' A' ' 106' ' ' VAL . 10.8 tp -60.12 -40.92 91.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -62.82 -40.37 97.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -67.06 -39.57 86.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.469 ' HG3' ' CD1' ' A' ' 96' ' ' LEU . 10.7 mm100 -66.31 -42.86 87.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD13 ' HG ' ' A' ' 107' ' ' LEU . 69.8 mt -65.04 -45.4 85.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.17 -45.96 79.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.39 -49.45 69.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.413 ' HA ' ' CG ' ' A' ' 65' ' ' ASN . 14.5 m -59.69 -30.64 68.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 82' ' ' ILE . 13.5 m-85 -93.44 3.89 54.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.847 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 t -66.82 156.01 36.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -45.43 92.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.02 -39.93 83.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' CG ' ' HA ' ' A' ' 60' ' ' CYS . 0.9 OUTLIER -68.02 -39.63 83.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.866 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 72' ' ' LEU . 61.6 mt -64.18 -44.73 91.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.5 t -69.85 -38.1 76.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -76.39 -30.05 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.409 ' CG ' ' HB2' ' A' ' 72' ' ' LEU . 38.1 t0 -86.51 78.61 9.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.0 mt -53.32 -36.48 61.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -62.05 -46.79 87.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.85 HD23 HD23 ' A' ' 66' ' ' LEU . 14.6 tp -60.2 -40.25 89.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.04 -42.47 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 t -66.19 -31.57 72.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -83.89 -24.08 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CG ' HG12 ' A' ' 82' ' ' ILE . 30.1 mtp -62.64 170.22 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -105.02 -176.42 3.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.3 m -65.54 -43.74 89.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.69 23.21 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 63.38 47.77 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -109.94 138.95 45.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.583 HG23 ' HD2' ' A' ' 83' ' ' PRO . 62.3 mt -118.6 137.46 24.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 82' ' ' ILE . 53.3 Cg_endo -69.8 138.59 38.07 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.772 ' CD1' HD21 ' A' ' 104' ' ' LEU . 70.0 mt -65.66 -29.62 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 83' ' ' PRO . 2.5 p-90 -63.13 -38.7 92.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -66.65 -45.02 80.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.96 -45.15 97.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -21.32 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.063 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.96 -20.99 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 11.6 mtp -47.38 133.82 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -56.53 -48.69 76.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.06 -46.07 89.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 16.5 mm -60.39 -40.94 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -67.31 -38.89 85.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -65.63 -30.94 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 56' ' ' GLN . 94.9 mt -85.74 -37.04 19.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.827 HG22 ' H ' ' A' ' 99' ' ' ASP . 51.6 m -166.02 143.8 5.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.195 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -114.31 26.53 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.827 ' H ' HG22 ' A' ' 97' ' ' THR . 8.5 t0 -110.02 120.56 44.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -38.01 8.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.56 -42.35 98.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.804 HD23 HG21 ' A' ' 97' ' ' THR . 32.4 tp -63.05 -42.7 99.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 58.8 mt -60.77 -45.88 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.93 HD22 HG11 ' A' ' 115' ' ' VAL . 35.0 mt -62.79 -36.33 82.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -67.14 -39.84 86.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.802 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 57' ' ' LEU . 53.3 t -67.7 -46.26 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.83 ' CD2' HG21 ' A' ' 113' ' ' VAL . 32.4 mt -65.52 -47.36 76.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -68.27 -28.59 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.7 t -76.38 -23.49 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 113' ' ' VAL . 2.4 p -93.04 137.2 23.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.649 0.738 . . . . 0.0 110.869 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 -31.49 20.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 37.3 mtp -54.34 -34.54 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.83 HG21 ' CD2' ' A' ' 107' ' ' LEU . 19.5 m -129.09 163.99 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.733 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.3 tm0? -140.93 132.95 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.93 HG11 HD22 ' A' ' 104' ' ' LEU . 45.3 t -100.62 119.14 48.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' VAL . 13.5 t70 -37.52 145.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -53.77 -20.0 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -88.53 -35.11 17.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.74 45.59 5.12 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -119.03 -30.91 4.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.916 0.389 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -145.47 144.85 30.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 114' ' ' GLN . 5.0 p -125.12 137.91 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.166 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -125.85 144.65 49.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 123.13 9.78 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 73.2 m -74.89 87.8 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 126' ' ' HIS . 32.9 p-80 -89.42 42.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.53 128.6 36.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -66.21 132.02 47.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 67.0 m -66.55 174.25 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 131' ' ' SER . 15.1 tt -170.36 160.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 130' ' ' ILE . 3.8 m -126.83 141.42 51.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 162.31 79.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -43.18 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.731 2.288 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 62.4 p -40.04 118.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 48.8 m -65.57 167.21 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.964 . . . . . . . . 0 0 . 1 stop_ save_