data_2ctp_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 2ctp _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 ' 8' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.674 ' CE2' ' CD1' ' A' ' 68' ' ' TYR . 16.5 m-85 -49.59 -63.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' CE2' ' HD2' ' A' ' 17' ' ' ARG . 55.3 m-85 -42.79 -47.8 5.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.14 -55.26 30.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.91 -41.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.28 -40.18 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.34 50.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 -178.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 15.1 mmm-85 -73.44 101.83 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.32 16.08 3.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 139.24 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -71.46 179.79 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -60.3 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -41.16 -47.84 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.21 -52.49 65.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 59' ' ' LEU . 23.2 mt -56.08 -43.7 78.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' LYS . 22.0 ttpp -62.05 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' LYS . 63.8 mttt -37.11 -58.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.51 -55.02 40.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -46.34 -47.47 18.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' LEU . 14.3 mtp85 -60.67 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttt180 -36.85 -32.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' ARG . 90.2 mt -79.6 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.05 -51.07 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.5 mm? -53.13 -33.48 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 28.2 tttt -82.57 -29.55 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 95.0 m-85 -109.13 26.17 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -83.43 140.59 41.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -17.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.409 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 14.2 m-20 -89.58 -37.41 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -86.31 -49.06 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 9.7 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.538 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -71.22 -49.88 38.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.16 -52.1 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.47 -38.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -63.78 -47.52 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.8 t80 -35.81 -48.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -48.88 -49.12 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -62.84 -59.43 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.5 mt -36.46 -62.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -47.08 -59.57 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' GLY . 3.5 m -36.68 -42.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.7 54.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.18 -53.81 54.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.16 -28.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.96 -69.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.533 HD12 ' CD1' ' A' ' 10' ' ' TYR . 19.7 mt -51.03 -25.73 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 p -67.34 -32.49 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -91.52 145.02 30.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -36.72 10.43 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.35 -39.99 37.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -74.18 -26.18 60.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -83.77 -62.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -47.36 -39.74 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.43 -32.69 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.674 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 88.7 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 27.9 m-85 -73.6 -45.37 53.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 19.6 m-85 -46.9 -38.99 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.12 -53.73 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -43.6 -40.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.2 mt -80.92 -46.4 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -142.94 173.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -77.37 167.75 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 11.8 mmm-85 -80.28 100.09 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.73 16.4 3.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.47 129.54 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 168.2 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' GLU . 3.1 m-20 -46.46 -66.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.0 tt0 -36.07 -56.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -55.23 -49.44 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -56.77 -59.53 4.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 25.6 ttmt -46.15 -56.08 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -46.42 -56.6 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.48 -56.84 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE1' ' HA2' ' A' ' 53' ' ' GLY . 29.9 t80 -46.86 -48.19 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.7 mtt180 -59.11 -66.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.3 ttt-85 -37.75 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' ARG . 91.8 mt -85.84 -61.69 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.79 -52.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.1 mm? -57.25 -35.59 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 1.5 tmtp? -81.25 -22.87 38.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 69.5 m-85 -114.66 20.12 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.7 t-80 -78.75 140.62 58.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.72 -32.56 18.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.29 -23.94 57.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -99.6 -63.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 17.1 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -42.92 -58.4 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' PHE . 7.4 m -56.57 -52.84 63.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.47 -33.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.67 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' THR . 6.9 t80 -44.78 -47.18 10.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 1.5 ptmm? -47.99 -43.87 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -70.52 -51.19 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.7 mt -42.65 -68.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -39.36 -50.32 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.9 m -46.79 -47.27 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.0 -54.79 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -53.08 -57.2 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.51 -38.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG11 ' CE2' ' A' ' 9' ' ' TYR . 78.3 t -71.93 -65.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' SER . 93.0 mt -58.36 -59.31 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' LEU . 23.9 p -37.5 -39.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -89.83 143.98 30.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.97 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -56.88 -35.07 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' TYR . 54.2 ttt180 -66.88 -46.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -38.08 -61.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.85 42.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ARG . 65.0 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 29.0 m-85 -65.89 -50.39 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 64.7 m-85 -52.18 -36.39 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.01 -56.31 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -41.7 -45.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 19.8 mt -76.23 -47.52 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.96 52.28 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.44 177.45 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -89.21 159.3 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -70.95 102.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.59 15.58 3.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 135.5 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -70.34 164.43 24.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -45.31 -59.46 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HG2' ' CE ' ' A' ' 26' ' ' LYS . 14.6 tt0 -43.22 -48.52 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.11 -61.81 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.82 -39.84 19.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -63.95 -66.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CE ' ' HG2' ' A' ' 22' ' ' GLU . 37.7 mttm -44.42 -54.79 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.08 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -51.95 -52.01 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.4 mtp180 -57.18 -60.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.5 ttt180 -34.54 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' ARG . 43.0 mt -81.89 -61.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.65 -50.29 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -79.53 -29.39 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.66 23.43 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 t-80 -75.65 140.66 71.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.78 -11.13 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -102.42 -45.39 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -72.69 -50.2 26.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 12.5 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -88.9 -58.79 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' PHE . 1.7 m -53.77 -50.3 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -41.45 -28.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.38 -40.58 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.5 t80 -47.96 -51.88 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -43.68 -44.54 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.58 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.37 -68.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.74 -44.9 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.1 m -50.61 -49.64 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.317 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -56.22 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' SER . 88.0 t80 -49.6 -46.0 48.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.82 -43.54 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.0 -71.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 61' ' ' ASN . 28.2 mt -53.44 -53.27 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 48.4 t -38.37 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.1 t30 -100.62 141.21 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 54.4 Cg_endo -69.75 -34.82 13.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.11 -45.17 42.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -76.31 -16.25 59.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.7 ttt-85 -88.78 -51.26 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 19.4 ptpt -53.54 -36.93 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.441 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 13.1 pt20 -71.6 -34.6 70.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.459 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.9 t80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 68' ' ' TYR . 21.9 m-85 -50.26 -58.41 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -43.13 -46.76 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.94 -53.28 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -44.09 -30.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.51 -36.48 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.51 42.14 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.59 176.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 167.26 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -77.59 100.99 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.84 16.9 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.23 137.56 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p -67.16 162.43 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.84 -58.3 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -45.23 -54.99 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.59 -45.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.06 -32.13 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 44.5 tttm -70.5 -68.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -39.0 -57.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.34 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.4 t80 -53.61 -54.38 38.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.8 mtp180 -60.19 -57.87 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.9 ttm180 -34.52 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 54.2 mt -83.86 -60.51 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.18 -47.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.37 -39.22 72.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.1 tttp -74.75 -33.01 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -107.74 23.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -77.48 140.64 64.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.73 -26.33 27.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -86.38 -36.02 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -79.42 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -36.85 -53.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -54.42 30.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -39.29 -30.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.19 -44.74 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' THR . 13.2 t80 -45.69 -37.38 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -57.08 -47.91 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.91 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mt -45.99 -70.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -38.47 -54.73 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 56.1 m -37.91 -43.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.658 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.5 t80 -49.17 -46.1 44.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.09 42.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 64' ' ' LYS . 88.5 t -52.35 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 68' ' ' TYR . 32.8 mt -50.87 -56.09 13.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 47.6 t -37.62 -32.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.2 m120 -93.93 141.4 23.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.85 13.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.65 -39.15 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 44.8 mttm -80.37 -15.08 57.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -86.93 -64.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.2 ptmm? -45.53 -42.84 11.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 9' ' ' TYR . 14.2 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.56 ' CE2' HG11 ' A' ' 58' ' ' VAL . 28.0 m-85 -46.12 -54.03 9.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.43 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.7 m-85 -51.56 -43.75 62.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.08 -57.35 7.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -38.44 -42.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.81 -41.71 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.93 53.07 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.52 172.66 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -83.37 169.73 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 49.2 mtm180 -81.83 100.85 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.79 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.83 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t -71.74 171.58 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -47.57 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.29 -63.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -45.0 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.11 -36.84 75.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 25.5 ttpt -72.02 -70.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 39.6 mttm -36.94 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.46 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.067 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.44 -56.55 15.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 30.6 mtp180 -57.5 -57.81 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' ARG . 26.4 ttm180 -34.79 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 69.8 mt -84.63 -60.12 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -38.63 -51.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 33' ' ' LEU . 1.2 mm? -53.12 -37.34 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.6 tttm -80.74 -28.65 36.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 96.0 m-85 -112.44 34.2 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.8 t-80 -88.61 140.72 29.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.72 -16.94 37.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -94.16 -30.7 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.48 -52.45 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.38 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' PHE . 94.6 m -44.39 -61.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -39.4 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' THR . . . -69.82 -43.12 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 9.9 t80 -40.73 -47.04 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -44.23 -52.08 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.25 88.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.95 -70.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.35 -51.17 2.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 m -43.27 -45.46 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.93 -58.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' CB ' ' A' ' 60' ' ' SER . 72.7 t80 -48.61 -45.72 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.62 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 9' ' ' TYR . 87.9 t -65.3 -71.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' ASN . 29.9 mt -53.56 -52.39 59.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.6 t -39.17 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' LEU . 22.6 m-20 -99.42 143.95 27.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.96 5.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.18 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 67' ' ' GLN . 78.9 mttt -69.22 -23.35 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 58.5 ttt180 -78.72 -49.72 12.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -63.07 -40.35 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 64' ' ' LYS . 1.6 pp0? -70.94 -35.94 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.863 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 30.7 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 23.8 m-85 -38.06 -57.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.2 m-85 -48.29 -36.66 14.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 5.2 mm-40 -75.87 -55.72 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -41.17 -42.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.99 -41.07 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.1 46.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.07 172.26 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -81.19 167.72 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 37.4 mtm180 -77.79 102.52 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 16.36 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.21 137.97 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 m -71.81 166.38 22.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.94 -28.97 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.39 -58.87 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.71 -46.56 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.7 -37.54 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -66.7 -67.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -45.32 -53.96 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.16 -55.9 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -46.45 -53.56 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.8 mtp180 -60.83 -59.75 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 29' ' ' ARG . 12.0 ttm180 -34.77 -32.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 50.6 mt -85.46 -58.54 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -40.75 -51.61 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -55.66 -36.21 66.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.0 ttmm -75.95 -33.38 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -108.35 24.51 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.1 t-80 -79.2 140.69 57.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.74 -21.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -94.92 -22.07 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -90.82 -54.57 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.76 -41.18 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -58.09 -47.03 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -48.72 -26.72 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.8 -45.2 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -44.57 -40.68 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.09 -60.38 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.05 -39.5 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mt -56.37 -63.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.18 -45.43 3.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.2 m -50.09 -56.6 10.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -53.83 -61.69 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' SER . 90.4 t80 -47.44 -53.05 15.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.12 -41.3 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 9' ' ' TYR . 96.7 t -73.7 -66.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 68' ' ' TYR . 76.8 mt -54.97 -59.86 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' LEU . 52.0 p -36.2 -34.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.3 t30 -91.17 141.35 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.4 Cg_endo -69.85 -44.99 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.88 -61.52 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -55.69 -31.34 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.56 -41.07 72.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -46.61 -63.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -55.19 -37.22 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.709 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 74.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.6 m-85 -46.92 -58.53 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 77.8 m-85 -52.11 -38.8 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.29 -58.38 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.85 -44.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.57 -36.61 51.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.91 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.62 179.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -95.25 162.75 13.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 16.5 mtm105 -73.58 101.52 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.27 16.76 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.37 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 t -62.34 169.56 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -60.54 -53.06 62.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 7.4 pt-20 -54.64 -46.02 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 8.3 m-20 -57.01 -47.69 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.3 -43.83 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 2.7 ttmp? -65.97 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.8 mptp? -35.38 -60.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.19 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -49.6 -52.14 32.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' LEU . 17.6 mtp180 -56.47 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 22.9 ttt180 -37.23 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LYS . 65.1 mt -84.53 -59.57 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.25 -49.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.11 -43.21 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 43.2 tttp -74.03 -16.1 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -120.61 20.13 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.511 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 t-80 -83.59 140.65 41.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.77 -12.93 33.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -103.86 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -62.85 -19.79 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -39.95 -49.97 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.44 -53.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -42.53 -25.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -85.08 -45.44 12.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -42.76 -43.57 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -51.91 -45.15 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.33 -48.86 63.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.3 mt -47.76 -69.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.59 -45.68 1.02 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -52.61 -52.4 55.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.115 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.26 -58.2 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 88.6 t80 -51.41 -38.86 55.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.73 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.56 -64.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.35 -41.77 80.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 66.1 p -50.22 -38.1 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -86.78 144.0 36.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.83 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.6 -49.06 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -68.85 -21.85 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -83.39 -61.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -49.81 -36.72 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.461 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 6.7 pt20 -69.94 -34.29 73.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 66.4 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 58' ' ' VAL . 23.3 m-85 -44.18 -53.54 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 70.9 m-85 -53.91 -38.12 64.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.5 -40.48 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.62 -34.62 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 27.1 mt -88.42 -30.98 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.02 46.17 3.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.2 m -140.32 175.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m -85.73 166.01 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 81.4 mtm180 -77.8 104.32 8.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.62 16.34 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 133.63 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.48 162.31 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.37 -61.18 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -44.92 -47.44 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.15 -52.28 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.21 -31.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -71.89 -56.21 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -45.77 -57.04 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.36 -53.21 60.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -48.09 -47.48 34.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.7 mtt180 -62.33 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ARG . 16.3 ttt-85 -37.31 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' LYS . 89.6 mt -86.25 -61.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.97 -43.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.39 -38.32 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.2 tttp -70.31 -24.2 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -106.86 -10.29 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.6 t-80 -53.25 140.69 43.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.709 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.76 -43.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.745 2.296 . . . . 0.0 112.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.81 -38.34 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -82.75 -62.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.9 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -49.67 -50.98 41.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.46 -34.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.56 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.3 t80 -44.42 -36.14 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.41 68.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mt -41.95 -59.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.78 -46.0 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -52.21 -29.5 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.67 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 60' ' ' SER . 17.5 t80 -52.72 -41.16 63.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.5 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 9' ' ' TYR . 97.6 t -80.92 -66.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 68' ' ' TYR . 37.1 mt -56.69 -40.66 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 38.4 t -50.56 -35.96 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 61' ' ' ASN . 1.6 m-80 -91.69 144.58 29.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.85 2.38 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 pt-20 -65.8 -46.25 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 68.3 mttt -74.66 -19.7 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.7 ttt-85 -84.51 -60.48 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 5.8 ptmm? -47.03 -47.15 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 1.2 pp0? -64.68 -35.49 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 44.3 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 23.8 m-85 -54.12 -66.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 72.5 m-85 -42.29 -34.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -73.38 -48.99 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -51.59 -37.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.4 mt -84.69 -36.57 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.42 51.23 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -139.76 174.02 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -80.8 161.6 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.4 mpp_? -73.63 100.28 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.46 16.84 4.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 132.86 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -65.99 167.31 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.03 -62.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.34 -56.31 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -52.79 -56.5 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.88 -35.12 31.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -69.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -39.27 -56.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.451 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 14.6 t80 -57.29 -56.55 20.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.6 mtt180 -57.12 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.2 ttm180 -37.0 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' ARG . 63.2 mt -89.14 -56.28 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.72 -46.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.4 -45.62 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 1.6 tmtp? -67.98 -23.64 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 60.9 m-85 -113.33 14.58 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.4 t-80 -75.11 140.69 73.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.74 -15.06 36.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.06 -15.57 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -98.0 -50.44 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 6.3 t-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -65.36 -41.32 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' PHE . 35.7 m -57.41 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -39.6 -30.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.79 -42.23 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.1 t80 -44.18 -47.26 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -52.69 -33.28 46.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.79 -35.2 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.4 mt -63.04 -64.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.451 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -39.05 -35.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.3 m -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -68.6 -53.48 22.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' SER . 16.2 t80 -52.05 -52.89 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.01 -50.83 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.93 -63.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.14 -16.88 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' TYR . 1.3 t -75.24 -29.31 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 17.8 m-80 -95.28 143.2 25.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.32 36.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.16 -47.84 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.4 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.7 ttt180 -91.12 -60.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.65 -40.0 62.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -65.86 -36.17 82.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 42.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.562 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 19.3 m-85 -55.24 -61.8 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -43.41 -40.5 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.35 -50.58 30.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -45.68 -22.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.61 -22.56 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.28 59.75 2.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.23 179.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 m -93.06 158.78 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -71.74 103.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.08 15.65 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.43 132.55 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 111.056 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -64.94 -177.94 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.95 -28.46 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 9.9 pt-20 -72.07 -51.39 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 6.7 t0 -57.32 -43.51 83.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.55 -36.79 85.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -68.11 -70.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.5 mttm -36.82 -56.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.52 85.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 16.2 t80 -52.9 -47.75 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 42.8 mtm180 -61.78 -68.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' ARG . 11.9 ttt180 -35.04 -34.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' LYS . 82.8 mt -81.56 -57.77 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -42.22 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.09 -30.29 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.1 tttm -70.49 -24.59 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' HD12 ' A' ' 52' ' ' ILE . 90.6 m-85 -107.03 -24.31 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 7.0 t-80 -40.03 140.48 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.72 -22.05 32.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.29 -33.7 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -89.13 -52.84 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.32 -50.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' ALA . 32.3 m -58.28 -55.25 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -45.8 -21.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -80.84 -37.16 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 2.8 t80 -45.06 -34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -66.36 -35.52 80.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.74 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 35' ' ' PHE . 3.5 mt -58.2 -64.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.06 -45.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.3 m -54.44 -48.37 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.67 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 58.0 t80 -53.48 -38.26 63.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.27 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.67 -59.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.24 -57.84 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.9 t -42.9 -29.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -85.34 144.03 40.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.14 -60.23 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -48.24 -32.74 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -74.84 -40.8 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -49.5 -62.22 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -54.23 -44.22 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 54.6 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' TYR . 16.8 m-85 -48.5 -66.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' TYR . 38.0 m-85 -37.9 -39.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -73.58 -48.01 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -47.91 -33.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -94.16 -36.85 11.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.06 58.34 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.57 172.76 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -85.21 162.45 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 101.69 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.23 15.16 3.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 134.59 51.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -62.87 172.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.35 -49.43 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -48.86 -62.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 7.1 t0 -47.31 -53.62 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.17 -39.16 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 35.0 ttpt -70.28 -64.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 23' ' ' ASP . 6.8 mtmp? -39.12 -57.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.3 t80 -52.13 -52.54 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 32.2 mtt-85 -65.17 -61.08 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttm180 -36.05 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 96.1 mt -82.87 -60.65 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -47.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.59 -41.01 89.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LEU . 26.3 tttt -71.35 -29.6 65.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.37 10.14 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.51 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -71.18 140.63 85.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.78 -34.49 14.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -43.13 67.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.13 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -35.4 -50.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -49.39 77.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -46.12 -22.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . -85.63 -44.4 12.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -38.91 -37.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -63.23 -46.08 88.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -63.6 -51.98 62.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.4 mt -36.65 -60.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -45.02 -62.18 3.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' GLY . 25.4 m -34.15 -50.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -57.04 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 93.6 t80 -55.17 -56.77 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.4 -30.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.31 -71.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.06 -53.54 16.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -42.84 -27.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 43.7 m-20 -92.43 144.1 28.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -39.83 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.71 -55.1 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -19.21 54.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 62.5 ttt180 -83.84 -55.07 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 6.0 ptpp? -59.72 -35.68 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 1.8 pp0? -71.14 -32.56 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 68' ' ' TYR . 21.5 m-85 -50.64 -48.67 58.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' CE1' HD11 ' A' ' 59' ' ' LEU . 23.4 m-85 -52.64 -38.99 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.85 -51.22 23.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.9 mt -44.31 -37.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 mt -89.35 -35.78 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 55.23 1.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.86 175.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 m -85.43 164.93 17.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 1.8 mpp_? -76.55 100.17 5.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 16.69 3.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.85 129.8 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -62.92 170.94 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLU . 1.7 m-20 -47.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -37.45 -59.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.95 -52.84 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -40.2 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -66.43 -69.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -38.68 -56.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.85 76.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -50.73 -50.95 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.9 mtm180 -57.51 -68.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.7 ttt180 -34.52 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 67.1 mt -81.41 -57.68 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -46.26 -47.56 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.5 -27.03 68.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 11.1 ttmm -77.08 -35.77 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 52' ' ' ILE . 99.2 m-85 -98.24 -10.12 24.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 t-80 -47.55 140.77 7.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -27.86 25.72 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.18 -38.36 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -84.37 -36.47 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.578 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 28.3 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -72.38 -57.36 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -53.07 -40.87 64.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.03 -23.71 21.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.26 -44.49 13.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -39.79 -39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.13 -52.05 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.06 83.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 35' ' ' PHE . 3.6 mt -39.39 -61.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -50.03 -58.19 8.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.439 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' GLY . 86.3 m -35.86 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.153 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -83.18 -53.78 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 60' ' ' SER . 84.3 t80 -54.41 -41.63 69.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.04 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 9' ' ' TYR . 76.8 t -66.55 -67.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 10' ' ' TYR . 38.3 mt -59.11 -46.76 87.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.9 t -46.7 -33.38 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 87.0 m-20 -94.89 140.26 22.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.81 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.2 -46.13 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -78.59 -17.95 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 65.4 ttt-85 -86.36 -53.71 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -46.42 -52.42 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 13.2 pt20 -58.11 -42.56 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 2.9 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 23.5 m-85 -51.2 -56.23 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -41.94 -38.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -73.52 -53.93 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.04 -38.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -85.84 -40.58 15.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.99 55.17 1.07 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -142.03 173.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -83.37 167.11 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.52 101.19 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.22 16.84 4.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.56 133.93 50.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -65.44 160.57 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.14 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -41.65 -59.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.54 14.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.88 -36.11 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -63.27 -65.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -45.67 -54.38 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.24 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.68 -57.78 10.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.4 mtp85 -57.11 -58.05 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.6 ttm180 -34.6 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' ARG . 38.8 mt -84.1 -61.13 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.02 -49.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.97 -34.95 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 35' ' ' PHE . 15.4 tttp -81.45 -28.3 34.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CZ ' ' HD3' ' A' ' 34' ' ' LYS . 70.1 m-85 -114.85 30.27 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.6 t-80 -76.9 140.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.65 -34.29 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 36' ' ' HIS . 1.7 ttmm -77.07 -68.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.536 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -66.76 -61.23 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.087 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -52.55 -49.02 65.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -43.07 -26.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.01 -38.85 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.84 -44.33 66.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -49.73 -48.07 50.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.52 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' GLY . 4.7 mt -50.96 -64.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -38.27 -53.66 2.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.8 m -47.75 -43.66 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.92 -58.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -48.62 -44.65 37.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.86 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 HG13 ' CE2' ' A' ' 9' ' ' TYR . 88.2 t -60.61 -70.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.2 -53.49 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.4 t -46.44 -27.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 93.8 m-20 -93.84 146.82 32.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.99 -60.12 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -51.55 -30.27 20.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.9 ttt-85 -81.01 -41.87 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -47.66 -62.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.97 -39.26 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 24.3 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 32.5 m-85 -49.34 -49.22 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.541 ' CE1' HD13 ' A' ' 59' ' ' LEU . 63.7 m-85 -51.59 -37.39 49.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.34 -55.76 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -41.98 -39.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.56 -37.45 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.88 43.75 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 -176.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -93.41 163.1 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -72.95 101.53 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.54 16.9 4.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 132.59 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -64.66 170.06 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -49.67 -47.17 50.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.07 -59.53 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -48.86 -46.49 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.42 -61.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -47.6 -54.45 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.15 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.45 -54.72 40.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ARG . 32.5 mtt-85 -50.76 -63.08 1.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.5 ttt-85 -34.46 -36.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' ARG . 67.6 mt -76.01 -63.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.9 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.1 mm? -52.95 -31.19 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.5 ttmm -86.41 -30.9 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -110.91 33.41 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.0 t-80 -84.92 140.66 37.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.74 -31.31 20.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.91 -32.76 57.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 12.3 mttp -91.3 -60.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.96 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 88.7 m -59.66 -51.22 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -45.39 -33.77 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.65 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -48.05 -51.33 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -40.1 -42.32 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -50.0 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.7 mt -44.17 -69.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.15 -55.64 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -41.97 -38.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 111.16 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -75.03 -55.35 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -49.93 -44.38 50.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.86 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' CZ ' ' A' ' 9' ' ' TYR . 73.0 t -49.76 -60.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.2 mt -67.21 -26.49 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -65.22 -38.06 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.8 t30 -88.41 140.74 30.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.8 Cg_endo -69.74 -25.85 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -83.96 -39.64 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -80.42 -19.24 46.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -83.12 -48.9 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 12.8 ptmm? -54.34 -44.45 72.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 8.3 pt20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.455 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 45.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.9 m-85 -50.96 -54.57 23.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -48.18 -36.5 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -71.23 -57.32 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.7 mt -39.85 -42.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -81.32 -37.21 28.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.58 52.28 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -139.99 173.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -80.46 164.82 22.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -78.35 103.01 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.55 16.79 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.22 138.66 57.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -71.54 164.05 26.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.31 -51.33 26.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -46.55 -64.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -48.24 -60.84 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -38.84 -47.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.63 -65.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -38.94 -53.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -49.2 77.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -52.9 -51.56 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 27.1 mtp180 -54.98 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.9 ttt180 -36.66 -36.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' LYS . 73.0 mt -79.06 -59.39 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.37 -51.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.83 -38.82 79.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 35' ' ' PHE . 7.4 tmtm? -75.63 -25.18 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.557 ' CE1' ' HE3' ' A' ' 34' ' ' LYS . 72.5 m-85 -113.91 21.64 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.2 t-80 -80.21 140.76 53.19 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.81 -26.86 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 -45.14 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -75.4 -54.1 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.524 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -73.87 -47.18 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 11.2 m -69.61 -40.06 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.18 -19.52 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.12 -40.84 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -46.75 -44.82 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.76 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.97 36.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.7 mt -49.93 -68.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.16 -42.94 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -54.71 -50.3 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 111.153 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.54 -61.88 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' ' CB ' ' A' ' 60' ' ' SER . 33.9 t80 -51.43 -39.38 57.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.8 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.405 HG12 ' CE2' ' A' ' 9' ' ' TYR . 98.9 t -79.94 -61.18 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.01 -46.75 89.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.5 t -45.24 -29.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -95.77 147.06 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.95 -62.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -47.41 -28.55 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.22 -39.84 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -49.83 -58.65 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -51.91 -34.73 42.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 37.5 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 21.4 m-85 -44.99 -56.27 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 41.2 m-85 -47.72 -40.09 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.47 -56.51 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -40.07 -41.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.33 -43.98 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.84 41.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.15 176.99 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -83.16 166.58 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 21.9 mtp180 -76.65 98.61 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.6 16.87 3.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 130.79 44.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 154.13 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -43.16 -39.11 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.93 -52.42 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.77 -55.99 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.0 -33.64 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 54.5 tttt -67.18 -71.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -41.64 -54.91 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.81 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 5.6 t80 -49.99 -53.11 28.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' LEU . 74.1 mtt180 -57.84 -57.56 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ARG . 43.8 ttt85 -37.22 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ARG . 41.1 mt -86.86 -56.43 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.51 -46.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.31 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 44.9 tttt -76.72 -11.33 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.41 17.08 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 t-80 -77.93 140.7 62.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo -69.84 -11.26 30.37 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.5 -62.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -54.23 -25.92 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.467 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -56.47 -50.49 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -57.3 -45.67 83.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -47.48 -20.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.03 -43.39 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -44.26 -45.15 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -55.27 -34.18 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.23 -42.36 26.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.3 mt -51.69 -70.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.24 -50.85 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -42.97 -51.18 5.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.84 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -47.19 -50.39 20.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.25 -56.56 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.4 t -50.93 -70.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' SER . 38.2 mt -53.65 -61.73 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.2 t -34.5 -36.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.0 t30 -88.88 141.23 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.6 Cg_endo -69.82 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -60.5 -59.84 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -54.89 -35.06 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -65.96 -40.07 90.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -50.85 -62.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.43 -34.55 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' TYR . 26.0 m-85 -64.14 -60.67 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 45.5 m-85 -36.08 -41.37 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.71 -54.92 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -40.62 -42.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.89 -31.28 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.01 54.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.06 167.73 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -77.95 166.03 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 47.2 mtp180 -79.81 102.18 8.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.23 3.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.71 145.07 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -73.8 167.99 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.27 -42.29 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.01 -49.35 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -59.89 -53.5 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.12 -45.44 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.19 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -41.18 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.41 77.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -50.0 -49.36 50.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 71.8 mtt-85 -60.08 -67.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -38.78 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 88.7 mt -84.52 -64.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.48 -41.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.446 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 3.3 mp -66.76 -36.63 82.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 53.4 tttt -77.06 -10.27 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 52' ' ' ILE . 92.0 m-85 -118.41 -12.29 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.3 t-80 -56.31 140.67 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.71 -22.89 31.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.13 -37.24 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HE2' ' CD2' ' A' ' 33' ' ' LEU . 15.2 mtpp -81.35 -51.93 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.81 -53.67 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -54.54 -40.8 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.12 -23.37 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.48 -38.74 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -42.04 -44.22 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 9.3 ptmt -55.52 -45.32 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -64.06 -55.8 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 35' ' ' PHE . 1.9 mt -34.06 -54.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -52.9 -64.43 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLY . 24.9 m -35.89 -32.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.123 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -77.61 -56.57 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.8 -46.03 78.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.47 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 t -77.41 -69.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.448 HD12 ' CE1' ' A' ' 10' ' ' TYR . 14.1 mt -54.38 -48.45 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -41.95 -26.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 29.6 m-80 -101.69 142.78 25.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -35.93 11.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 15.7 pt-20 -73.68 -45.55 51.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 43.5 mttm -77.27 -15.56 59.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 55.4 ttt-85 -86.29 -63.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -51.44 -36.91 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -68.38 -33.88 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.853 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 26.0 m-85 -76.8 -48.63 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 77.2 m-85 -52.12 -40.8 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -63.31 -59.01 5.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 85.3 mt -38.73 -57.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 11.6 mt -67.49 -46.09 73.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.89 53.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.54 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.05 174.53 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -85.62 173.48 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 6.5 mpt_? -82.67 102.0 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.66 15.36 4.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.53 147.71 51.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.9 p -80.51 169.82 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -62.27 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.57 -47.43 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.71 -59.4 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.92 -42.85 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -59.2 -65.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -41.29 -56.83 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.38 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 15.9 t80 -53.06 -53.34 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ARG . 79.4 mtt-85 -53.79 -63.04 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.1 ttt180 -34.35 -37.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 29.3 mt -75.27 -65.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.88 -46.42 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.6 mm? -57.9 -35.74 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.3 tttm -81.35 -30.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 85.3 m-85 -109.65 31.55 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -86.18 140.57 34.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.67 -36.53 10.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -84.2 10.62 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 45.7 mttp -132.39 -63.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.576 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 21.7 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.576 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -54.04 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 7.2 m -53.79 -46.52 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -48.06 -38.6 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.81 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -40.78 -48.59 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -48.17 -48.61 34.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.08 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 8.7 mt -43.53 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -37.32 -54.23 1.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLY . 57.2 m -37.56 -46.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -57.55 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -48.81 -47.25 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 -42.74 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.77 -70.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 HD21 ' CE1' ' A' ' 10' ' ' TYR . 25.0 mt -53.88 -56.27 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.8 t -36.62 -34.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.4 m120 -90.3 141.97 28.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -41.25 4.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.82 -47.59 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -71.99 -21.16 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.3 ttt180 -82.63 -41.93 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.1 pttp -64.28 -33.87 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 6.3 pt20 -72.68 -33.59 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 11.3 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.02 -49.44 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CD1' HD12 ' A' ' 59' ' ' LEU . 38.1 m-85 -53.97 -34.44 59.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -73.83 -47.76 36.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.7 -44.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -78.46 -38.02 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 54.51 1.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.27 -179.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -88.48 158.03 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -71.09 99.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.92 16.85 3.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 134.55 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -66.23 166.1 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -57.65 5.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -44.94 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.26 -55.92 23.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.33 -36.6 63.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.83 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -45.08 -52.84 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -53.87 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.415 ' CE1' ' HA2' ' A' ' 53' ' ' GLY . 43.9 t80 -51.76 -44.85 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.5 mtp180 -62.01 -61.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -40.45 -26.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . 76.8 mt -90.36 -57.2 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.22 -49.7 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.41 -42.18 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 23.9 tttm -71.47 -21.23 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 98.0 m-85 -120.49 22.96 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.1 t-80 -81.27 140.66 49.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.5 Cg_endo -69.73 -7.05 20.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -111.37 -47.92 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -77.86 -28.32 50.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.503 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 5.3 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.503 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -49.86 -50.05 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -60.27 -56.41 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -38.82 -35.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.51 67.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' THR . 15.4 t80 -43.03 -44.29 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 51' ' ' ALA . 10.5 ptmt -54.44 -39.77 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 50' ' ' LYS . . . -71.33 -34.71 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.48 -60.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.415 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.63 -44.65 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.2 m -52.64 -50.86 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -58.91 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -47.49 -48.86 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.64 -51.81 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.25 -68.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' A' ' 68' ' ' TYR . 59.4 mt -52.06 -61.71 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 80.4 p -37.9 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' LEU . 21.5 t-20 -95.0 140.07 22.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.433 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 53.7 Cg_endo -69.76 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 26.2 mm-40 -62.6 -59.36 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HG3' ' CG ' ' A' ' 61' ' ' ASN . 10.4 mtpt -51.18 -34.5 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -65.45 -43.98 88.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -47.8 -57.8 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 5.5 pt20 -56.28 -38.08 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.552 ' CE2' HD21 ' A' ' 59' ' ' LEU . 12.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -63.63 -53.03 57.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.0 m-85 -46.1 -42.63 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -65.44 -57.35 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -40.86 -39.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -81.69 -41.73 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.53 44.09 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.1 m -137.2 174.47 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -84.28 168.56 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 41.2 mtt180 -80.53 101.14 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.7 16.89 3.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 140.0 57.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -70.98 162.88 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -45.63 -48.21 14.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.64 -54.76 20.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.07 -57.72 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 59' ' ' LEU . 7.8 mt -49.47 -37.73 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -68.05 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -42.0 -55.4 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.49 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.464 ' CE1' ' HA2' ' A' ' 53' ' ' GLY . 14.5 t80 -52.48 -54.8 27.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.9 mtp180 -58.74 -58.8 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.4 ttm-85 -35.55 -31.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ARG . 70.1 mt -83.21 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . . . -40.46 -49.36 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.6 -34.72 67.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' LEU . 32.1 tttt -83.99 -27.21 28.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 34' ' ' LYS . 42.1 m-85 -111.87 32.63 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -88.76 140.66 29.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.85 -14.04 35.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -94.46 -40.47 9.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -82.96 -51.58 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.45 -61.28 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 49' ' ' PHE . 24.6 m -47.95 -64.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' THR . 25.9 mm-40 -34.96 -45.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.24 -45.8 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 7.8 t80 -41.77 -51.22 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -44.02 -46.79 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -53.02 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.46 -64.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.85 -58.61 4.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 m -34.31 -41.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.55 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 76.0 t80 -47.34 -44.95 24.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.49 -46.29 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.411 ' HA ' ' CB ' ' A' ' 64' ' ' LYS . 92.3 t -57.58 -71.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 24' ' ' LEU . 30.7 mt -51.79 -51.53 55.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 t -46.69 -28.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 6.4 t30 -96.08 140.29 22.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -29.31 24.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 6.2 mp0 -78.33 -49.09 14.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 58' ' ' VAL . 45.4 mttm -73.53 -20.9 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.1 ttt180 -85.24 -53.01 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -48.92 -36.53 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 7.2 pt20 -71.38 -34.53 70.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.454 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -132.67 150.48 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -40.1 151.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -91.91 -134.03 6.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 47.9 t 37.61 43.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -107.8 -56.06 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.45 97.34 1.95 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -120.54 140.52 51.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.674 ' CE2' ' CD1' ' A' ' 68' ' ' TYR . 16.5 m-85 -49.59 -63.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' CE2' ' HD2' ' A' ' 17' ' ' ARG . 55.3 m-85 -42.79 -47.8 5.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.14 -55.26 30.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.91 -41.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.28 -40.18 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.34 50.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 -178.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 15.1 mmm-85 -73.44 101.83 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.32 16.08 3.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 139.24 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -71.46 179.79 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -60.3 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -41.16 -47.84 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.21 -52.49 65.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' CD2' HD13 ' A' ' 59' ' ' LEU . 23.2 mt -56.08 -43.7 78.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' LYS . 22.0 ttpp -62.05 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' LYS . 63.8 mttt -37.11 -58.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.51 -55.02 40.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -46.34 -47.47 18.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' LEU . 14.3 mtp85 -60.67 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttt180 -36.85 -32.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' ARG . 90.2 mt -79.6 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.05 -51.07 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.5 mm? -53.13 -33.48 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 28.2 tttt -82.57 -29.55 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.526 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 95.0 m-85 -109.13 26.17 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -83.43 140.59 41.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -17.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.409 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 14.2 m-20 -89.58 -37.41 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -86.31 -49.06 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 9.7 t-20 -72.37 153.1 41.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -101.45 -36.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.89 144.13 31.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLY . 53.6 Cg_endo -69.81 -45.49 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.43 -42.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.538 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -71.22 -49.88 38.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.16 -52.1 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.47 -38.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -63.78 -47.52 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.8 t80 -35.81 -48.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -48.88 -49.12 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -62.84 -59.43 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.5 mt -36.46 -62.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -47.08 -59.57 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 53' ' ' GLY . 3.5 m -36.68 -42.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.7 54.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.18 -53.81 54.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.16 -28.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.96 -69.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.533 HD12 ' CD1' ' A' ' 10' ' ' TYR . 19.7 mt -51.03 -25.73 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 p -67.34 -32.49 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -91.52 145.02 30.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -36.72 10.43 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.35 -39.99 37.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -74.18 -26.18 60.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -83.77 -62.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -47.36 -39.74 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.43 -32.69 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.674 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 88.7 t80 -75.12 -35.54 61.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.4 -41.92 54.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.73 -59.33 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -104.62 -66.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' SER . . . 112.37 163.23 16.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.3 p -35.6 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.814 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.15 -161.75 20.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -47.36 125.82 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.7 m -117.4 161.38 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -93.46 111.38 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 t -76.0 -55.97 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 94.93 0.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -47.05 -41.93 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.812 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -72.68 164.5 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . -129.93 48.19 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -36.52 149.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 27.9 m-85 -73.6 -45.37 53.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 19.6 m-85 -46.9 -38.99 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.12 -53.73 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -43.6 -40.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.2 mt -80.92 -46.4 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -142.94 173.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -77.37 167.75 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 11.8 mmm-85 -80.28 100.09 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.73 16.4 3.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.47 129.54 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 168.2 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' GLU . 3.1 m-20 -46.46 -66.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.0 tt0 -36.07 -56.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -55.23 -49.44 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -56.77 -59.53 4.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 25.6 ttmt -46.15 -56.08 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -46.42 -56.6 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.48 -56.84 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CE1' ' HA2' ' A' ' 53' ' ' GLY . 29.9 t80 -46.86 -48.19 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.7 mtt180 -59.11 -66.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.3 ttt-85 -37.75 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' ARG . 91.8 mt -85.84 -61.69 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.79 -52.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.1 mm? -57.25 -35.59 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.553 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 1.5 tmtp? -81.25 -22.87 38.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 69.5 m-85 -114.66 20.12 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.7 t-80 -78.75 140.62 58.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.72 -32.56 18.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.29 -23.94 57.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -99.6 -63.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 17.1 t-20 -73.36 104.42 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -89.43 37.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.85 144.14 47.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.695 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.42 45.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.59 -61.5 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -42.92 -58.4 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' PHE . 7.4 m -56.57 -52.84 63.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.47 -33.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.67 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' THR . 6.9 t80 -44.78 -47.18 10.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 1.5 ptmm? -47.99 -43.87 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -70.52 -51.19 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.7 mt -42.65 -68.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -39.36 -50.32 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.9 m -46.79 -47.27 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.0 -54.79 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -53.08 -57.2 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.51 -38.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG11 ' CE2' ' A' ' 9' ' ' TYR . 78.3 t -71.93 -65.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' SER . 93.0 mt -58.36 -59.31 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' LEU . 23.9 p -37.5 -39.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -89.83 143.98 30.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.97 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -56.88 -35.07 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' TYR . 54.2 ttt180 -66.88 -46.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -38.08 -61.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.85 42.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ARG . 65.0 t80 -71.64 -43.72 65.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -69.43 -60.22 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.15 -69.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' SER . . . 123.39 105.97 1.76 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' GLY . 1.8 m 35.62 43.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.49 146.2 21.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.02 69.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 p -55.29 -44.74 75.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -122.52 86.78 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.453 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -136.8 164.51 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -102.03 42.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.49 -101.98 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t 46.61 42.85 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.895 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -84.23 -47.79 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 42.38 2.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.06 151.06 7.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 29.0 m-85 -65.89 -50.39 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 64.7 m-85 -52.18 -36.39 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.01 -56.31 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -41.7 -45.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 19.8 mt -76.23 -47.52 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.96 52.28 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.44 177.45 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -89.21 159.3 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -70.95 102.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.59 15.58 3.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 135.5 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -70.34 164.43 24.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -45.31 -59.46 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' HG2' ' CE ' ' A' ' 26' ' ' LYS . 14.6 tt0 -43.22 -48.52 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.11 -61.81 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.82 -39.84 19.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -63.95 -66.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' CE ' ' HG2' ' A' ' 22' ' ' GLU . 37.7 mttm -44.42 -54.79 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.08 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -51.95 -52.01 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.4 mtp180 -57.18 -60.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.5 ttt180 -34.54 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 29' ' ' ARG . 43.0 mt -81.89 -61.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.65 -50.29 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -79.53 -29.39 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.66 23.43 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 t-80 -75.65 140.66 71.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.78 -11.13 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -102.42 -45.39 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -72.69 -50.2 26.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 12.5 t-20 -80.34 -52.11 8.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 70.71 25.99 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.26 143.98 36.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.305 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.97 -20.94 58.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -88.9 -58.79 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' PHE . 1.7 m -53.77 -50.3 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -41.45 -28.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.38 -40.58 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.5 t80 -47.96 -51.88 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -43.68 -44.54 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.58 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mt -52.37 -68.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.74 -44.9 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.1 m -50.61 -49.64 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.317 . . . . 0.0 111.098 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -56.22 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' SER . 88.0 t80 -49.6 -46.0 48.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.82 -43.54 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.1 t -61.0 -71.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 61' ' ' ASN . 28.2 mt -53.44 -53.27 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 48.4 t -38.37 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.1 t30 -100.62 141.21 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 54.4 Cg_endo -69.75 -34.82 13.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.11 -45.17 42.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -76.31 -16.25 59.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.7 ttt-85 -88.78 -51.26 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 19.4 ptpt -53.54 -36.93 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.441 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 13.1 pt20 -71.6 -34.6 70.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.459 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.9 t80 -72.64 -38.22 67.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.65 -35.73 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -79.94 -50.75 9.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.55 -73.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.1 -165.61 24.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -94.4 148.16 22.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.69 171.86 46.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -1.77 9.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.0 p 51.63 44.62 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -136.47 115.95 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -133.11 155.75 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.827 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -90.03 -64.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.16 106.54 1.91 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -146.62 135.99 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -62.75 -11.17 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 106.94 2.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -105.77 137.44 43.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 68' ' ' TYR . 21.9 m-85 -50.26 -58.41 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -43.13 -46.76 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.94 -53.28 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -44.09 -30.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.51 -36.48 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.51 42.14 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.59 176.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 167.26 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -77.59 100.99 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.84 16.9 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.23 137.56 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p -67.16 162.43 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.84 -58.3 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -45.23 -54.99 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.59 -45.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.06 -32.13 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 44.5 tttm -70.5 -68.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -39.0 -57.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.34 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.4 t80 -53.61 -54.38 38.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.8 mtp180 -60.19 -57.87 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.9 ttm180 -34.52 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 54.2 mt -83.86 -60.51 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.18 -47.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -56.37 -39.22 72.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.1 tttp -74.75 -33.01 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -107.74 23.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.517 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -77.48 140.64 64.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.73 -26.33 27.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -86.38 -36.02 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -79.42 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.16 161.44 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 9.1 p80 -122.87 -41.44 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -76.59 143.78 72.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.97 55.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . 117.31 -64.36 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -36.85 -53.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -54.42 30.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -39.29 -30.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.19 -44.74 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' THR . 13.2 t80 -45.69 -37.38 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -57.08 -47.91 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.91 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mt -45.99 -70.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -38.47 -54.73 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 56.1 m -37.91 -43.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.658 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.5 t80 -49.17 -46.1 44.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.09 42.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 64' ' ' LYS . 88.5 t -52.35 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 68' ' ' TYR . 32.8 mt -50.87 -56.09 13.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 47.6 t -37.62 -32.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.2 m120 -93.93 141.4 23.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.85 13.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.65 -39.15 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' O ' ' CG1' ' A' ' 58' ' ' VAL . 44.8 mttm -80.37 -15.08 57.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -86.93 -64.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.2 ptmm? -45.53 -42.84 11.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.606 ' CD1' ' CD2' ' A' ' 9' ' ' TYR . 14.2 t80 -68.23 -36.08 78.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -12.27 59.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -97.26 -58.23 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -82.77 -73.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.23 131.58 5.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.4 t -51.39 -41.08 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.21 178.43 21.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.81 18.2 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -123.91 44.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.0 p -90.78 137.75 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -71.76 136.13 47.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -99.24 174.58 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.19 52.42 6.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -98.33 -45.62 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -113.74 155.68 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.47 -115.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.19 131.54 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.56 ' CE2' HG11 ' A' ' 58' ' ' VAL . 28.0 m-85 -46.12 -54.03 9.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.43 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.7 m-85 -51.56 -43.75 62.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.08 -57.35 7.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -38.44 -42.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.81 -41.71 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.93 53.07 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.52 172.66 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -83.37 169.73 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.43 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 49.2 mtm180 -81.83 100.85 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.79 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.83 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t -71.74 171.58 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -47.57 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.29 -63.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -45.0 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.11 -36.84 75.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 25.5 ttpt -72.02 -70.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 39.6 mttm -36.94 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.46 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.067 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -53.44 -56.55 15.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 30.6 mtp180 -57.5 -57.81 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' ARG . 26.4 ttm180 -34.79 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 69.8 mt -84.63 -60.12 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -38.63 -51.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' HD21 ' A' ' 33' ' ' LEU . 1.2 mm? -53.12 -37.34 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.6 tttm -80.74 -28.65 36.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 96.0 m-85 -112.44 34.2 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.8 t-80 -88.61 140.72 29.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.72 -16.94 37.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -94.16 -30.7 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.48 -52.45 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -73.16 127.23 32.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -87.96 -36.56 17.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.86 143.72 40.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.569 0.699 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -167.5 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.611 2.207 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 -52.17 3.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.38 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' PHE . 94.6 m -44.39 -61.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -39.4 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' THR . . . -69.82 -43.12 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 9.9 t80 -40.73 -47.04 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -44.23 -52.08 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.25 88.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.95 -70.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.35 -51.17 2.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.5 m -43.27 -45.46 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.93 -58.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' CB ' ' A' ' 60' ' ' SER . 72.7 t80 -48.61 -45.72 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.62 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 9' ' ' TYR . 87.9 t -65.3 -71.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' ASN . 29.9 mt -53.56 -52.39 59.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.6 t -39.17 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' LEU . 22.6 m-20 -99.42 143.95 27.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.96 5.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.18 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HA ' ' CG ' ' A' ' 67' ' ' GLN . 78.9 mttt -69.22 -23.35 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 58.5 ttt180 -78.72 -49.72 12.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -63.07 -40.35 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' CG ' ' HA ' ' A' ' 64' ' ' LYS . 1.6 pp0? -70.94 -35.94 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.6 -50.37 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -68.03 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.09 -72.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.47 -159.15 25.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -102.65 152.31 21.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 65.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m -77.97 112.23 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 m -70.65 131.57 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.515 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p -99.19 -64.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p 42.54 51.9 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.74 79.66 1.06 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -72.21 90.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t 44.33 38.6 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.1 49.61 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 30.7 m-20 -137.19 133.44 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 23.8 m-85 -38.06 -57.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.2 m-85 -48.29 -36.66 14.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 5.2 mm-40 -75.87 -55.72 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -41.17 -42.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.99 -41.07 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.1 46.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.07 172.26 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -81.19 167.72 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.544 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 37.4 mtm180 -77.79 102.52 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 16.36 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.21 137.97 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 m -71.81 166.38 22.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.94 -28.97 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.39 -58.87 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -56.71 -46.56 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.7 -37.54 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -66.7 -67.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -45.32 -53.96 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.16 -55.9 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -46.45 -53.56 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.8 mtp180 -60.83 -59.75 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 29' ' ' ARG . 12.0 ttm180 -34.77 -32.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 50.6 mt -85.46 -58.54 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -40.75 -51.61 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -55.66 -36.21 66.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.0 ttmm -75.95 -33.38 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -108.35 24.51 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.1 t-80 -79.2 140.69 57.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.74 -21.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -94.92 -22.07 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -90.82 -54.57 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -70.64 150.92 45.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -101.47 -42.89 6.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.9 143.95 50.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 175.4 8.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.4 -62.06 2.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.76 -41.18 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -58.09 -47.03 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -48.72 -26.72 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.8 -45.2 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -44.57 -40.68 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.09 -60.38 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.05 -39.5 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 mt -56.37 -63.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.18 -45.43 3.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.2 m -50.09 -56.6 10.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -53.83 -61.69 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' SER . 90.4 t80 -47.44 -53.05 15.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.12 -41.3 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG11 ' CE2' ' A' ' 9' ' ' TYR . 96.7 t -73.7 -66.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.526 HD21 ' CD2' ' A' ' 68' ' ' TYR . 76.8 mt -54.97 -59.86 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' LEU . 52.0 p -36.2 -34.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.424 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.3 t30 -91.17 141.35 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.4 Cg_endo -69.85 -44.99 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.88 -61.52 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -55.69 -31.34 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.56 -41.07 72.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -46.61 -63.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -55.19 -37.22 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.709 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 74.0 t80 -69.59 -25.99 64.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.74 -43.06 15.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -65.94 -55.2 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.31 -66.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.31 -171.83 17.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -98.08 171.86 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.18 -158.16 9.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.98 29.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -85.08 137.01 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.0 p -164.43 146.34 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -121.39 143.61 49.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -102.54 154.53 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.2 -46.28 1.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -146.07 148.01 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -117.74 85.99 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.74 101.37 2.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.59 146.99 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.6 m-85 -46.92 -58.53 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 77.8 m-85 -52.11 -38.8 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.29 -58.38 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.85 -44.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.57 -36.61 51.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.91 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.62 179.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -95.25 162.75 13.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 16.5 mtm105 -73.58 101.52 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.27 16.76 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.37 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 t -62.34 169.56 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -60.54 -53.06 62.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 7.4 pt-20 -54.64 -46.02 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 8.3 m-20 -57.01 -47.69 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.3 -43.83 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 2.7 ttmp? -65.97 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.8 mptp? -35.38 -60.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.19 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -49.6 -52.14 32.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' LEU . 17.6 mtp180 -56.47 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 22.9 ttt180 -37.23 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LYS . 65.1 mt -84.53 -59.57 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.25 -49.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.11 -43.21 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 43.2 tttp -74.03 -16.1 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -120.61 20.13 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.511 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 t-80 -83.59 140.65 41.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.511 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.77 -12.93 33.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -103.86 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -62.85 -19.79 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -108.52 129.09 55.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 9.3 p80 -85.73 -42.63 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -75.98 143.85 74.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -168.24 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.94 -60.94 2.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -39.95 -49.97 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.44 -53.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -42.53 -25.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -85.08 -45.44 12.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -42.76 -43.57 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -51.91 -45.15 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.33 -48.86 63.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.3 mt -47.76 -69.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.59 -45.68 1.02 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.0 m -52.61 -52.4 55.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.115 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.26 -58.2 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 88.6 t80 -51.41 -38.86 55.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.73 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.2 t -73.56 -64.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.35 -41.77 80.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 66.1 p -50.22 -38.1 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -86.78 144.0 36.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.83 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.6 -49.06 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -68.85 -21.85 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -83.39 -61.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -49.81 -36.72 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.461 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 6.7 pt20 -69.94 -34.29 73.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 66.4 t80 -75.03 -50.95 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.49 -19.62 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -88.12 -63.0 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' GLY . 67.7 m-85 -102.82 -48.99 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PHE . . . -37.91 -91.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -64.42 119.95 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.85 75.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 94.87 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -38.09 -43.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.5 p 40.1 45.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -154.23 142.44 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -105.97 130.46 53.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 -143.63 5.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -115.1 117.51 30.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -143.6 157.0 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.3 49.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -87.38 140.52 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 58' ' ' VAL . 23.3 m-85 -44.18 -53.54 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 70.9 m-85 -53.91 -38.12 64.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.5 -40.48 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.62 -34.62 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.423 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 27.1 mt -88.42 -30.98 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.02 46.17 3.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.2 m -140.32 175.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m -85.73 166.01 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.569 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 81.4 mtm180 -77.8 104.32 8.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.62 16.34 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 133.63 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.48 162.31 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.37 -61.18 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -44.92 -47.44 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.15 -52.28 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.21 -31.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -71.89 -56.21 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -45.77 -57.04 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.36 -53.21 60.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -48.09 -47.48 34.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.7 mtt180 -62.33 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ARG . 16.3 ttt-85 -37.31 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' LYS . 89.6 mt -86.25 -61.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.97 -43.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.39 -38.32 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.2 tttp -70.31 -24.2 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -106.86 -10.29 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.6 t-80 -53.25 140.69 43.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.709 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.76 -43.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.745 2.296 . . . . 0.0 112.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.81 -38.34 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -82.75 -62.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 41' ' ' HIS . 13.8 t-20 -57.99 168.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 90.2 m-70 -108.54 -53.57 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 143.78 81.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 53.6 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.35 -39.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.9 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.456 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -49.67 -50.98 41.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.46 -34.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.56 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.3 t80 -44.42 -36.14 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.41 68.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mt -41.95 -59.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.78 -46.0 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 89.9 m -52.21 -29.5 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.67 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 60' ' ' SER . 17.5 t80 -52.72 -41.16 63.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.5 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 9' ' ' TYR . 97.6 t -80.92 -66.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD23 ' CD2' ' A' ' 68' ' ' TYR . 37.1 mt -56.69 -40.66 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 38.4 t -50.56 -35.96 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 61' ' ' ASN . 1.6 m-80 -91.69 144.58 29.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.85 2.38 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 pt-20 -65.8 -46.25 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 68.3 mttt -74.66 -19.7 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.7 ttt-85 -84.51 -60.48 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 5.8 ptmm? -47.03 -47.15 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 1.2 pp0? -64.68 -35.49 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 44.3 t80 -66.42 -47.06 74.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.53 -53.55 54.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.04 -63.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -88.44 -70.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.12 176.56 43.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.0 t -52.8 97.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.82 83.43 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.5 t -119.26 136.0 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -79.11 164.45 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -72.9 171.92 11.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -155.01 158.9 39.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 127.87 6.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.1 p -83.52 42.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -43.23 -50.72 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.3 49.63 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -104.13 151.37 23.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 23.8 m-85 -54.12 -66.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 72.5 m-85 -42.29 -34.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -73.38 -48.99 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -51.59 -37.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.4 mt -84.69 -36.57 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.42 51.23 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -139.76 174.02 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -80.8 161.6 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.4 mpp_? -73.63 100.28 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.46 16.84 4.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 132.86 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -65.99 167.31 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.03 -62.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.34 -56.31 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -52.79 -56.5 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.3 mt -50.88 -35.12 31.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -69.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -39.27 -56.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.451 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 14.6 t80 -57.29 -56.55 20.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.6 mtt180 -57.12 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.2 ttm180 -37.0 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' ARG . 63.2 mt -89.14 -56.28 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.72 -46.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.4 -45.62 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 1.6 tmtp? -67.98 -23.64 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 60.9 m-85 -113.33 14.58 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.519 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.4 t-80 -75.11 140.69 73.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.519 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.74 -15.06 36.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.06 -15.57 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -98.0 -50.44 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 6.3 t-20 -74.42 167.36 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.18 -46.13 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.65 143.14 35.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.699 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -33.75 15.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.74 -49.54 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.459 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -65.36 -41.32 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 49' ' ' PHE . 35.7 m -57.41 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -39.6 -30.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.79 -42.23 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.1 t80 -44.18 -47.26 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -52.69 -33.28 46.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.79 -35.2 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 55' ' ' ALA . 4.4 mt -63.04 -64.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -39.05 -35.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.3 m -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -68.6 -53.48 22.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' SER . 16.2 t80 -52.05 -52.89 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.01 -50.83 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.3 t -52.93 -63.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.6 mt -66.14 -16.88 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' TYR . 1.3 t -75.24 -29.31 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 17.8 m-80 -95.28 143.2 25.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.32 36.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.16 -47.84 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -76.4 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.7 ttt180 -91.12 -60.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.65 -40.0 62.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -65.86 -36.17 82.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 42.3 t80 -68.08 -35.87 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -73.94 -54.05 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.19 -66.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -81.19 -58.2 3.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 68' ' ' TYR . . . 65.22 149.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -125.31 95.79 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.0 161.12 27.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.45 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.222 . . . . 0.0 112.378 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.8 t -121.17 -51.16 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -102.59 120.25 40.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -40.31 152.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -119.03 172.93 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.0 150.81 14.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -68.43 114.45 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.802 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -71.89 83.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.06 73.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.2 144.53 37.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.562 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 19.3 m-85 -55.24 -61.8 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -43.41 -40.5 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.35 -50.58 30.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -45.68 -22.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 mt -107.61 -22.56 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.28 59.75 2.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.23 179.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 m -93.06 158.78 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -71.74 103.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.08 15.65 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.43 132.55 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 111.056 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -64.94 -177.94 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.95 -28.46 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 9.9 pt-20 -72.07 -51.39 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 6.7 t0 -57.32 -43.51 83.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.55 -36.79 85.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -68.11 -70.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.5 mttm -36.82 -56.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.52 85.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 16.2 t80 -52.9 -47.75 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 42.8 mtm180 -61.78 -68.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' ARG . 11.9 ttt180 -35.04 -34.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' LYS . 82.8 mt -81.56 -57.77 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -42.22 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -72.09 -30.29 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.1 tttm -70.49 -24.59 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CD2' HD12 ' A' ' 52' ' ' ILE . 90.6 m-85 -107.03 -24.31 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 7.0 t-80 -40.03 140.48 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.72 -22.05 32.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.29 -33.7 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -89.13 -52.84 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -90.99 117.15 29.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -93.35 26.22 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.03 143.79 29.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.536 0.684 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 164.05 35.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.57 -63.94 1.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -38.32 -50.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 48' ' ' ALA . 32.3 m -58.28 -55.25 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -45.8 -21.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -80.84 -37.16 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 2.8 t80 -45.06 -34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -66.36 -35.52 80.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.74 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 35' ' ' PHE . 3.5 mt -58.2 -64.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.06 -45.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.3 m -54.44 -48.37 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.67 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 58.0 t80 -53.48 -38.26 63.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.27 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.67 -59.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.24 -57.84 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.9 t -42.9 -29.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -85.34 144.03 40.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.14 -60.23 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -48.24 -32.74 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -74.84 -40.8 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -49.5 -62.22 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -54.23 -44.22 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 54.6 t80 -59.4 -28.72 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.59 -45.63 15.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.24 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.09 -56.22 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.94 -35.74 3.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.4 m -167.18 155.47 9.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 148.35 18.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.57 3.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 m 43.21 50.14 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 m -147.42 158.74 44.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -75.56 -23.23 56.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -114.39 170.07 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.76 66.7 3.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -76.57 99.51 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 p -86.75 -49.52 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.27 83.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -72.27 146.78 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' TYR . 16.8 m-85 -48.5 -66.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' TYR . 38.0 m-85 -37.9 -39.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -73.58 -48.01 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -47.91 -33.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.2 mt -94.16 -36.85 11.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.06 58.34 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.57 172.76 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -85.21 162.45 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 101.69 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.23 15.16 3.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.54 134.59 51.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -62.87 172.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -53.35 -49.43 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -48.86 -62.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 7.1 t0 -47.31 -53.62 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.17 -39.16 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 35.0 ttpt -70.28 -64.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 23' ' ' ASP . 6.8 mtmp? -39.12 -57.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.3 t80 -52.13 -52.54 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 32.2 mtt-85 -65.17 -61.08 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttm180 -36.05 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 96.1 mt -82.87 -60.65 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -47.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.59 -41.01 89.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LEU . 26.3 tttt -71.35 -29.6 65.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.37 10.14 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.51 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -71.18 140.63 85.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.51 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.78 -34.49 14.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -43.13 67.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.13 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -87.39 120.41 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -102.79 45.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.3 144.17 50.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 111.063 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.2 44.75 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . 96.92 -63.43 1.04 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -35.4 -50.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.35 -49.39 77.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -46.12 -22.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . -85.63 -44.4 12.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -38.91 -37.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -63.23 -46.08 88.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -63.6 -51.98 62.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.4 mt -36.65 -60.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -45.02 -62.18 3.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' GLY . 25.4 m -34.15 -50.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -57.04 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 93.6 t80 -55.17 -56.77 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.4 -30.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.31 -71.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.3 mt -48.06 -53.54 16.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -42.84 -27.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 43.7 m-20 -92.43 144.1 28.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -39.83 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.71 -55.1 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -19.21 54.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 62.5 ttt180 -83.84 -55.07 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 6.0 ptpp? -59.72 -35.68 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 1.8 pp0? -71.14 -32.56 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.68 -14.47 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.58 -23.67 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.81 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -81.71 -56.7 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLY . . . -58.7 -107.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -42.67 94.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' GLY . . . -159.34 146.05 12.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.47 3.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.7 p -74.83 147.09 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.0 p -148.56 124.25 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -53.56 -58.55 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -46.54 -44.36 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.06 43.85 2.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m 58.49 42.3 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.881 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 p -64.11 122.67 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.97 65.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.97 144.33 26.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 68' ' ' TYR . 21.5 m-85 -50.64 -48.67 58.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' CE1' HD11 ' A' ' 59' ' ' LEU . 23.4 m-85 -52.64 -38.99 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.85 -51.22 23.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.9 mt -44.31 -37.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 12.9 mt -89.35 -35.78 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 55.23 1.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.86 175.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 m -85.43 164.93 17.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 1.8 mpp_? -76.55 100.17 5.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 16.69 3.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.85 129.8 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -62.92 170.94 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLU . 1.7 m-20 -47.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -37.45 -59.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.95 -52.84 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.4 mt -58.35 -40.2 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -66.43 -69.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -38.68 -56.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.85 76.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -50.73 -50.95 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.9 mtm180 -57.51 -68.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.7 ttt180 -34.52 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 67.1 mt -81.41 -57.68 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -46.26 -47.56 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.5 -27.03 68.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 11.1 ttmm -77.08 -35.77 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.565 ' CD2' HD13 ' A' ' 52' ' ' ILE . 99.2 m-85 -98.24 -10.12 24.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 t-80 -47.55 140.77 7.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -27.86 25.72 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.18 -38.36 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -84.37 -36.47 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 28.3 t-20 -108.82 133.02 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.07 36.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.93 140.2 37.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.691 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.35 -38.29 33.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -72.38 -57.36 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -53.07 -40.87 64.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.03 -23.71 21.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.26 -44.49 13.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -39.79 -39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.13 -52.05 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.06 83.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 35' ' ' PHE . 3.6 mt -39.39 -61.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -50.03 -58.19 8.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.439 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' GLY . 86.3 m -35.86 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.153 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -83.18 -53.78 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 60' ' ' SER . 84.3 t80 -54.41 -41.63 69.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.04 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 9' ' ' TYR . 76.8 t -66.55 -67.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.544 HD11 ' CE1' ' A' ' 10' ' ' TYR . 38.3 mt -59.11 -46.76 87.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.9 t -46.7 -33.38 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 87.0 m-20 -94.89 140.26 22.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.81 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.2 -46.13 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -78.59 -17.95 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 65.4 ttt-85 -86.36 -53.71 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -46.42 -52.42 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 13.2 pt20 -58.11 -42.56 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 2.9 t80 -61.25 -38.73 87.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -51.54 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -59.26 -65.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -73.44 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.18 -134.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.2 m 40.39 54.07 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.962 0.411 . . . . 0.0 110.871 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.57 147.96 17.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.65 10.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.402 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 m -103.36 167.16 9.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.7 p -149.92 134.68 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -44.34 -44.31 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -57.28 151.24 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.01 -166.06 34.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -169.87 107.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -121.33 105.27 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 63.89 4.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.29 132.12 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 23.5 m-85 -51.2 -56.23 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -41.94 -38.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -73.52 -53.93 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.04 -38.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.6 mt -85.84 -40.58 15.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.99 55.17 1.07 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -142.03 173.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -83.37 167.11 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.52 101.19 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.22 16.84 4.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.56 133.93 50.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -65.44 160.57 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.14 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -41.65 -59.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.54 14.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.88 -36.11 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -63.27 -65.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -45.67 -54.38 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.24 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.68 -57.78 10.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.4 mtp85 -57.11 -58.05 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.6 ttm180 -34.6 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 29' ' ' ARG . 38.8 mt -84.1 -61.13 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.02 -49.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.97 -34.95 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 35' ' ' PHE . 15.4 tttp -81.45 -28.3 34.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' CZ ' ' HD3' ' A' ' 34' ' ' LYS . 70.1 m-85 -114.85 30.27 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.6 t-80 -76.9 140.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.65 -34.29 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.462 ' CB ' ' HB3' ' A' ' 36' ' ' HIS . 1.7 ttmm -77.07 -68.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.536 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t-20 -67.77 142.14 56.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -100.9 22.36 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.34 139.36 33.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.34 -35.16 5.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -66.76 -61.23 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.087 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -52.55 -49.02 65.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -43.07 -26.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.01 -38.85 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.84 -44.33 66.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -49.73 -48.07 50.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.52 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 53' ' ' GLY . 4.7 mt -50.96 -64.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -38.27 -53.66 2.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.8 m -47.75 -43.66 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.92 -58.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -48.62 -44.65 37.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.86 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 HG13 ' CE2' ' A' ' 9' ' ' TYR . 88.2 t -60.61 -70.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.2 -53.49 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.4 t -46.44 -27.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 93.8 m-20 -93.84 146.82 32.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.99 -60.12 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -51.55 -30.27 20.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.9 ttt-85 -81.01 -41.87 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -47.66 -62.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.97 -39.26 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 24.3 t80 -58.76 -29.02 66.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -84.46 -51.58 6.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -66.6 -59.32 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -72.38 -68.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.71 -159.72 3.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.7 m 48.1 42.05 16.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.98 72.91 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 m -171.94 172.43 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.5 p -101.17 42.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 40.97 41.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -71.06 136.25 48.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.97 89.42 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -92.95 114.76 27.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.365 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 m -86.94 -60.33 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.02 62.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.51 140.67 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.447 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 32.5 m-85 -49.34 -49.22 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.541 ' CE1' HD13 ' A' ' 59' ' ' LEU . 63.7 m-85 -51.59 -37.39 49.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.34 -55.76 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -41.98 -39.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.7 mt -79.56 -37.45 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.88 43.75 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 -176.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -93.41 163.1 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -72.95 101.53 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.54 16.9 4.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.28 132.59 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.087 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -64.66 170.06 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -49.67 -47.17 50.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.07 -59.53 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -48.86 -46.49 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 59' ' ' LEU . 8.9 mt -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.42 -61.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -47.6 -54.45 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.15 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.45 -54.72 40.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ARG . 32.5 mtt-85 -50.76 -63.08 1.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.5 ttt-85 -34.46 -36.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' ARG . 67.6 mt -76.01 -63.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.18 -52.9 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.1 mm? -52.95 -31.19 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.5 ttmm -86.41 -30.9 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -110.91 33.41 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.0 t-80 -84.92 140.66 37.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.74 -31.31 20.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.91 -32.76 57.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 12.3 mttp -91.3 -60.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.91 119.17 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -88.33 -28.1 21.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.2 144.13 35.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 179.83 3.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.49 -47.95 2.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.96 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.441 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 88.7 m -59.66 -51.22 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -45.39 -33.77 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.65 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -48.05 -51.33 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -40.1 -42.32 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -50.0 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.7 mt -44.17 -69.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.15 -55.64 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.2 m -41.97 -38.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 111.16 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -75.03 -55.35 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -49.93 -44.38 50.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.86 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' CZ ' ' A' ' 9' ' ' TYR . 73.0 t -49.76 -60.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.2 mt -67.21 -26.49 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -65.22 -38.06 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.8 t30 -88.41 140.74 30.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.8 Cg_endo -69.74 -25.85 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -83.96 -39.64 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -80.42 -19.24 46.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -83.12 -48.9 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 12.8 ptmm? -54.34 -44.45 72.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 8.3 pt20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.455 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 45.9 t80 -75.53 -31.97 60.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.16 -39.38 41.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -71.05 -49.81 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -113.44 -67.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' A' ' 68' ' ' TYR . . . 113.0 -145.76 18.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -134.0 156.27 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.1 172.8 19.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 98.87 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -61.71 146.47 49.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -134.88 140.12 45.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -100.39 98.27 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 p -91.9 138.86 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.72 136.22 31.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -56.66 119.37 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -173.3 153.49 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 91.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.79 139.44 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.9 m-85 -50.96 -54.57 23.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -48.18 -36.5 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -71.23 -57.32 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.7 mt -39.85 -42.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 26.4 mt -81.32 -37.21 28.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.58 52.28 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -139.99 173.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -80.46 164.82 22.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -78.35 103.01 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.55 16.79 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.22 138.66 57.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -71.54 164.05 26.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.31 -51.33 26.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -46.55 -64.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -48.24 -60.84 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -38.84 -47.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.63 -65.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -38.94 -53.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -49.2 77.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -52.9 -51.56 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 30' ' ' ARG . 27.1 mtp180 -54.98 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.9 ttt180 -36.66 -36.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' LYS . 73.0 mt -79.06 -59.39 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.37 -51.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.83 -38.82 79.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 35' ' ' PHE . 7.4 tmtm? -75.63 -25.18 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.557 ' CE1' ' HE3' ' A' ' 34' ' ' LYS . 72.5 m-85 -113.91 21.64 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.523 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.2 t-80 -80.21 140.76 53.19 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.4 Cg_endo -69.81 -26.86 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 -45.14 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.1 mttm -75.4 -54.1 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.524 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -87.41 120.35 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 48.7 t-80 -89.23 38.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.37 138.71 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.56 -29.48 60.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -73.87 -47.18 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 11.2 m -69.61 -40.06 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.18 -19.52 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.12 -40.84 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -46.75 -44.82 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.76 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.97 36.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.7 mt -49.93 -68.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.16 -42.94 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -54.71 -50.3 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 111.153 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.54 -61.88 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' ' CB ' ' A' ' 60' ' ' SER . 33.9 t80 -51.43 -39.38 57.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.8 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.405 HG12 ' CE2' ' A' ' 9' ' ' TYR . 98.9 t -79.94 -61.18 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.01 -46.75 89.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.5 t -45.24 -29.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -95.77 147.06 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.95 -62.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -47.41 -28.55 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.22 -39.84 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -49.83 -58.65 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -51.91 -34.73 42.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 37.5 t80 -70.69 -50.96 30.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.27 -30.65 66.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -84.34 -59.51 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' GLY . 60.6 m-85 -95.91 -60.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.519 ' HA3' ' CD1' ' A' ' 68' ' ' TYR . . . -35.32 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TYR . 27.0 p -66.1 81.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.7 83.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -27.61 26.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -86.66 150.93 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m 64.32 40.99 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -46.43 123.82 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -109.19 177.7 4.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.23 -154.85 23.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -88.35 -50.54 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t 66.07 43.94 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.03 -49.16 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.74 144.94 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 21.4 m-85 -44.99 -56.27 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 41.2 m-85 -47.72 -40.09 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.47 -56.51 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -40.07 -41.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.8 mt -78.33 -43.98 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.84 41.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.15 176.99 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -83.16 166.58 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 21.9 mtp180 -76.65 98.61 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.6 16.87 3.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 130.79 44.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 154.13 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -43.16 -39.11 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.93 -52.42 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -60.77 -55.99 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.0 -33.64 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 54.5 tttt -67.18 -71.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -41.64 -54.91 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.81 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 5.6 t80 -49.99 -53.11 28.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' LEU . 74.1 mtt180 -57.84 -57.56 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ARG . 43.8 ttt85 -37.22 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ARG . 41.1 mt -86.86 -56.43 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.51 -46.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.31 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 44.9 tttt -76.72 -11.33 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -125.41 17.08 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 t-80 -77.93 140.7 62.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.3 Cg_endo -69.84 -11.26 30.37 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.5 -62.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -54.23 -25.92 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -101.81 172.49 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -113.34 -46.49 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.96 140.54 77.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' GLY . 54.4 Cg_endo -69.75 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.345 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.05 -42.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -56.47 -50.49 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -57.3 -45.67 83.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -47.48 -20.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.03 -43.39 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -44.26 -45.15 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -55.27 -34.18 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.23 -42.36 26.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.3 mt -51.69 -70.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.24 -50.85 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -42.97 -51.18 5.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.84 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -47.19 -50.39 20.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.25 -56.56 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.4 t -50.93 -70.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' SER . 38.2 mt -53.65 -61.73 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.2 t -34.5 -36.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.0 t30 -88.88 141.23 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.6 Cg_endo -69.82 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -60.5 -59.84 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -54.89 -35.06 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -65.96 -40.07 90.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -50.85 -62.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.43 -34.55 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.2 t80 -72.59 -28.77 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.27 -28.85 26.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.25 -53.42 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -110.99 -72.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.4 -120.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -116.48 93.4 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.921 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 44.99 -159.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 109.15 2.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.9 m -112.05 143.36 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 m -120.96 -42.78 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -47.88 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -120.02 132.67 55.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.39 79.1 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -174.84 128.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -65.16 -46.28 81.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 152.76 59.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -37.79 141.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' TYR . 26.0 m-85 -64.14 -60.67 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 45.5 m-85 -36.08 -41.37 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.71 -54.92 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -40.62 -42.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.89 -31.28 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.01 54.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.06 167.73 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -77.95 166.03 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 47.2 mtp180 -79.81 102.18 8.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.23 3.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.71 145.07 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -73.8 167.99 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -54.27 -42.29 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.01 -49.35 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -59.89 -53.5 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -54.12 -45.44 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.19 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -41.18 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.41 77.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -50.0 -49.36 50.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 71.8 mtt-85 -60.08 -67.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -38.78 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 88.7 mt -84.52 -64.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.48 -41.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.446 ' CD2' ' HE2' ' A' ' 39' ' ' LYS . 3.3 mp -66.76 -36.63 82.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 53.4 tttt -77.06 -10.27 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.508 ' CD2' HD13 ' A' ' 52' ' ' ILE . 92.0 m-85 -118.41 -12.29 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.3 t-80 -56.31 140.67 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.71 -22.89 31.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.13 -37.24 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HE2' ' CD2' ' A' ' 33' ' ' LEU . 15.2 mtpp -81.35 -51.93 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -83.91 -57.69 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 63.73 40.16 7.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.58 146.56 52.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.2 34.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.39 -42.29 2.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.81 -53.67 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.6 m -54.54 -40.8 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.12 -23.37 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.48 -38.74 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -42.04 -44.22 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 9.3 ptmt -55.52 -45.32 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -64.06 -55.8 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' A' ' 35' ' ' PHE . 1.9 mt -34.06 -54.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -52.9 -64.43 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLY . 24.9 m -35.89 -32.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.123 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -77.61 -56.57 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.8 -46.03 78.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.47 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.0 t -77.41 -69.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.448 HD12 ' CE1' ' A' ' 10' ' ' TYR . 14.1 mt -54.38 -48.45 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -41.95 -26.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 29.6 m-80 -101.69 142.78 25.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -35.93 11.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 15.7 pt-20 -73.68 -45.55 51.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 43.5 mttm -77.27 -15.56 59.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 55.4 ttt-85 -86.29 -63.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -51.44 -36.91 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -68.38 -33.88 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -74.2 -40.22 62.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -38.6 72.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -71.82 -66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.86 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.82 125.8 5.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 t -45.91 120.91 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.69 -73.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.03 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.0 m -130.98 158.29 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 m -110.14 85.8 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -62.27 162.03 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -41.86 117.34 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.83 67.52 0.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -84.03 90.51 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -54.12 160.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.36 65.39 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -41.94 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 26.0 m-85 -76.8 -48.63 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 77.2 m-85 -52.12 -40.8 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -63.31 -59.01 5.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 85.3 mt -38.73 -57.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 11.6 mt -67.49 -46.09 73.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.89 53.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.54 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -144.05 174.53 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -85.62 173.48 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 6.5 mpt_? -82.67 102.0 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.66 15.36 4.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.53 147.71 51.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.9 p -80.51 169.82 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -62.27 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.57 -47.43 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.71 -59.4 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.92 -42.85 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -59.2 -65.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -41.29 -56.83 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.38 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 15.9 t80 -53.06 -53.34 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ARG . 79.4 mtt-85 -53.79 -63.04 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.1 ttt180 -34.35 -37.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 13' ' ' LEU . 29.3 mt -75.27 -65.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.88 -46.42 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.6 mm? -57.9 -35.74 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.3 tttm -81.35 -30.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 85.3 m-85 -109.65 31.55 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -86.18 140.57 34.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.67 -36.53 10.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -84.2 10.62 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 45.7 mttp -132.39 -63.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.576 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 21.7 t-20 -74.44 127.16 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -107.43 41.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.02 142.99 47.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 137.85 36.68 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.33 -41.5 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.576 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -54.04 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.424 ' CG2' ' HB3' ' A' ' 37' ' ' PRO . 7.2 m -53.79 -46.52 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -48.06 -38.6 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.81 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -40.78 -48.59 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -48.17 -48.61 34.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.08 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 12' ' ' ILE . 8.7 mt -43.53 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -37.32 -54.23 1.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' GLY . 57.2 m -37.56 -46.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -57.55 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -48.81 -47.25 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 -42.74 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -65.77 -70.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 HD21 ' CE1' ' A' ' 10' ' ' TYR . 25.0 mt -53.88 -56.27 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.8 t -36.62 -34.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.4 m120 -90.3 141.97 28.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -41.25 4.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.82 -47.59 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 mttm -71.99 -21.16 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.3 ttt180 -82.63 -41.93 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.1 pttp -64.28 -33.87 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 6.3 pt20 -72.68 -33.59 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 11.3 t80 -75.57 -49.72 17.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.6 -34.69 74.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -82.06 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -90.53 -50.01 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.485 ' CA ' ' O ' ' A' ' 68' ' ' TYR . . . -62.16 -124.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLY . 34.6 p -34.6 125.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -172.45 -154.42 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.0 m -76.63 48.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.0 m -64.57 116.39 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -125.08 -44.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -63.83 122.48 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.62 50.31 1.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -60.21 135.88 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -164.17 158.59 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.4 108.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.38 122.47 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.02 -49.44 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' CD1' HD12 ' A' ' 59' ' ' LEU . 38.1 m-85 -53.97 -34.44 59.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -73.83 -47.76 36.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.7 -44.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.5 mt -78.46 -38.02 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 54.51 1.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.27 -179.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -88.48 158.03 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -71.09 99.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.92 16.85 3.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.24 134.55 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -66.23 166.1 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.75 -57.65 5.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -44.94 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -54.26 -55.92 23.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.33 -36.6 63.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.83 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -45.08 -52.84 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -53.87 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.415 ' CE1' ' HA2' ' A' ' 53' ' ' GLY . 43.9 t80 -51.76 -44.85 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.5 mtp180 -62.01 -61.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -40.45 -26.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' ARG . 76.8 mt -90.36 -57.2 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.22 -49.7 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.41 -42.18 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 23.9 tttm -71.47 -21.23 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.403 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 98.0 m-85 -120.49 22.96 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.515 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.1 t-80 -81.27 140.66 49.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.5 Cg_endo -69.73 -7.05 20.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -111.37 -47.92 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -77.86 -28.32 50.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.503 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 5.3 t30 -112.32 107.09 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -94.48 48.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.85 141.63 41.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.701 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.46 40.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.66 -43.42 2.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.503 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -49.86 -50.05 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -60.27 -56.41 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -38.82 -35.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.51 67.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' THR . 15.4 t80 -43.03 -44.29 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 51' ' ' ALA . 10.5 ptmt -54.44 -39.77 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 50' ' ' LYS . . . -71.33 -34.71 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.48 -60.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.63 -44.65 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.2 m -52.64 -50.86 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -58.91 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -47.49 -48.86 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.64 -51.81 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.25 -68.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.552 HD21 ' CE2' ' A' ' 68' ' ' TYR . 59.4 mt -52.06 -61.71 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 80.4 p -37.9 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' LEU . 21.5 t-20 -95.0 140.07 22.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.433 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 53.7 Cg_endo -69.76 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 26.2 mm-40 -62.6 -59.36 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HG3' ' CG ' ' A' ' 61' ' ' ASN . 10.4 mtpt -51.18 -34.5 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -65.45 -43.98 88.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -47.8 -57.8 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 5.5 pt20 -56.28 -38.08 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.552 ' CE2' HD21 ' A' ' 59' ' ' LEU . 12.2 t80 -66.07 -35.86 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.98 -29.04 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.12 -63.63 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' GLY . 44.2 m-85 -91.51 -62.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' PHE . . . -35.74 -45.14 0.75 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.2 t -123.06 140.89 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.04 -96.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.68 59.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.7 t -54.38 115.56 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.1 p -130.81 158.07 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -151.7 124.62 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -145.75 142.62 29.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 -169.67 14.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -68.74 175.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -134.28 -45.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.3 -52.19 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.45 157.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -63.63 -53.03 57.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.0 m-85 -46.1 -42.63 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -65.44 -57.35 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -40.86 -39.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.2 mt -81.69 -41.73 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.53 44.09 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.1 m -137.2 174.47 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -84.28 168.56 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 41.2 mtt180 -80.53 101.14 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.7 16.89 3.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 140.0 57.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -70.98 162.88 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -45.63 -48.21 14.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.64 -54.76 20.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.07 -57.72 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 59' ' ' LEU . 7.8 mt -49.47 -37.73 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -68.05 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -42.0 -55.4 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.49 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' CE1' ' HA2' ' A' ' 53' ' ' GLY . 14.5 t80 -52.48 -54.8 27.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.9 mtp180 -58.74 -58.8 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.4 ttm-85 -35.55 -31.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ARG . 70.1 mt -83.21 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . . . -40.46 -49.36 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.6 -34.72 67.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 31' ' ' LEU . 32.1 tttt -83.99 -27.21 28.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' CE1' ' HE2' ' A' ' 34' ' ' LYS . 42.1 m-85 -111.87 32.63 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -88.76 140.66 29.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.516 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.85 -14.04 35.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -94.46 -40.47 9.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -82.96 -51.58 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 14.2 t-20 -85.83 -44.1 12.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 40' ' ' ASN . 25.9 p80 43.96 38.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.72 152.43 65.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 146.32 59.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.384 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -54.32 3.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.45 -61.28 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 49' ' ' PHE . 24.6 m -47.95 -64.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' THR . 25.9 mm-40 -34.96 -45.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.24 -45.8 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' A' ' 32' ' ' ALA . 7.8 t80 -41.77 -51.22 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -44.02 -46.79 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -53.02 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.46 -64.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.85 -58.61 4.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 53' ' ' GLY . 26.0 m -34.31 -41.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.55 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 76.0 t80 -47.34 -44.95 24.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.49 -46.29 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.411 ' HA ' ' CB ' ' A' ' 64' ' ' LYS . 92.3 t -57.58 -71.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 24' ' ' LEU . 30.7 mt -51.79 -51.53 55.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 t -46.69 -28.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 6.4 t30 -96.08 140.29 22.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -29.31 24.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 6.2 mp0 -78.33 -49.09 14.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 58' ' ' VAL . 45.4 mttm -73.53 -20.9 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.1 ttt180 -85.24 -53.01 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -48.92 -36.53 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 7.2 pt20 -71.38 -34.53 70.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.454 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.7 t80 -73.88 -38.41 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -27.88 67.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -94.59 -59.45 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -105.72 52.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.4 -33.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -118.24 -41.7 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.85 -100.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.0 15.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.5 p -74.78 92.72 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m 51.28 51.19 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.534 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.674 ' CE2' ' CD1' ' A' ' 68' ' ' TYR . 16.5 m-85 -49.59 -63.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 17' ' ' ARG . 55.3 m-85 -42.79 -47.8 5.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.14 -55.26 30.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.91 -41.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' LEU . 16.4 mt -81.28 -40.18 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.34 50.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 -178.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 15.1 mmm-85 -73.44 101.83 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.32 16.08 3.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 139.24 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -71.46 179.79 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -60.3 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -41.16 -47.84 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.21 -52.49 65.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.537 HD22 HD12 ' A' ' 59' ' ' LEU . 23.2 mt -56.08 -43.7 78.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' LYS . 22.0 ttpp -62.05 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' LYS . 63.8 mttt -37.11 -58.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.51 -55.02 40.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -46.34 -47.47 18.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 14.3 mtp85 -60.67 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttt180 -36.85 -32.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 13' ' ' LEU . 90.2 mt -79.6 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.05 -51.07 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 29' ' ' ARG . 3.5 mm? -53.13 -33.48 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 28.2 tttt -82.57 -29.55 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 95.0 m-85 -109.13 26.17 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -83.43 140.59 41.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.594 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.76 -17.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.407 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 14.2 m-20 -89.58 -37.41 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -86.31 -49.06 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.22 -49.88 38.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.594 HG21 ' HB3' ' A' ' 37' ' ' PRO . 5.8 m -53.16 -52.1 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.47 -38.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -63.78 -47.52 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.8 t80 -35.81 -48.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -48.88 -49.12 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -62.84 -59.43 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.5 mt -36.46 -62.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -47.08 -59.57 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.5 m -36.68 -42.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.7 54.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.18 -53.81 54.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.16 -28.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 64' ' ' LYS . 98.9 t -79.96 -69.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.537 HD12 HD22 ' A' ' 24' ' ' LEU . 19.7 mt -51.03 -25.73 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 p -67.34 -32.49 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -91.52 145.02 30.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -36.72 10.43 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.35 -39.99 37.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.5 mtpp -74.18 -26.18 60.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -83.77 -62.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -47.36 -39.74 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.43 -32.69 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.674 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 88.7 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 27.9 m-85 -73.6 -45.37 53.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 19.6 m-85 -46.9 -38.99 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.12 -53.73 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -43.6 -40.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 31' ' ' LEU . 94.2 mt -80.92 -46.4 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -142.94 173.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -77.37 167.75 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 11.8 mmm-85 -80.28 100.09 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.73 16.4 3.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.47 129.54 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 168.2 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.1 m-20 -46.46 -66.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.0 tt0 -36.07 -56.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -55.23 -49.44 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.5 mt -56.77 -59.53 4.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 25.6 ttmt -46.15 -56.08 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -46.42 -56.6 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.48 -56.84 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.613 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.9 t80 -46.86 -48.19 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.7 mtt180 -59.11 -66.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.3 ttt-85 -37.75 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 13' ' ' LEU . 91.8 mt -85.84 -61.69 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.79 -52.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 2.1 mm? -57.25 -35.59 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 1.5 tmtp? -81.25 -22.87 38.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 69.5 m-85 -114.66 20.12 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.7 t-80 -78.75 140.62 58.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.72 -32.56 18.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.29 -23.94 57.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -99.6 -63.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 17.1 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -42.92 -58.4 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.4 m -56.57 -52.84 63.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.47 -33.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.67 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' THR . 6.9 t80 -44.78 -47.18 10.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 1.5 ptmm? -47.99 -43.87 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -70.52 -51.19 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -42.65 -68.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.528 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -39.36 -50.32 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.9 m -46.79 -47.27 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.0 -54.79 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -53.08 -57.2 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.51 -38.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 78.3 t -71.93 -65.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' SER . 93.0 mt -58.36 -59.31 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' LEU . 23.9 p -37.5 -39.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -89.83 143.98 30.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.97 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' HG13 ' A' ' 58' ' ' VAL . 36.4 mttm -56.88 -35.07 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' TYR . 54.2 ttt180 -66.88 -46.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -38.08 -61.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.85 42.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ARG . 65.0 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 29.0 m-85 -65.89 -50.39 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 64.7 m-85 -52.18 -36.39 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.01 -56.31 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -41.7 -45.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.783 ' O ' HD11 ' A' ' 31' ' ' LEU . 19.8 mt -76.23 -47.52 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.96 52.28 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.44 177.45 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -89.21 159.3 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.573 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -70.95 102.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.59 15.58 3.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 135.5 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -70.34 164.43 24.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -45.31 -59.46 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' CE ' ' A' ' 26' ' ' LYS . 14.6 tt0 -43.22 -48.52 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.11 -61.81 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.82 -39.84 19.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -63.95 -66.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' CE ' ' HG2' ' A' ' 22' ' ' GLU . 37.7 mttm -44.42 -54.79 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.08 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 52' ' ' ILE . 19.4 t80 -51.95 -52.01 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.4 mtp180 -57.18 -60.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.5 ttt180 -34.54 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 13' ' ' LEU . 43.0 mt -81.89 -61.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.65 -50.29 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -79.53 -29.39 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.66 23.43 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 t-80 -75.65 140.66 71.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.8 Cg_endo -69.78 -11.13 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -102.42 -45.39 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -72.69 -50.2 26.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.9 -58.79 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.7 m -53.77 -50.3 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -41.45 -28.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.38 -40.58 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.5 t80 -47.96 -51.88 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -43.68 -44.54 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.58 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.556 HG22 ' CE1' ' A' ' 28' ' ' TYR . 4.3 mt -52.37 -68.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.74 -44.9 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 37.1 m -50.61 -49.64 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.317 . . . . 0.0 111.098 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -56.22 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' SER . 88.0 t80 -49.6 -46.0 48.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.82 -43.54 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 64' ' ' LYS . 95.1 t -61.0 -71.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 61' ' ' ASN . 28.2 mt -53.44 -53.27 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 48.4 t -38.37 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.1 t30 -100.62 141.21 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 54.4 Cg_endo -69.75 -34.82 13.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.11 -45.17 42.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 58' ' ' VAL . 25.9 mttm -76.31 -16.25 59.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.7 ttt-85 -88.78 -51.26 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 19.4 ptpt -53.54 -36.93 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 13.1 pt20 -71.6 -34.6 70.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.459 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.9 t80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 68' ' ' TYR . 21.9 m-85 -50.26 -58.41 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -43.13 -46.76 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.94 -53.28 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -44.09 -30.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.51 -36.48 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.51 42.14 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.59 176.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 167.26 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -77.59 100.99 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.84 16.9 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.23 137.56 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p -67.16 162.43 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 m-20 -44.84 -58.3 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -45.23 -54.99 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.59 -45.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.9 mt -63.06 -32.13 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 44.5 tttm -70.5 -68.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -39.0 -57.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.34 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.4 t80 -53.61 -54.38 38.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.8 mtp180 -60.19 -57.87 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.9 ttm180 -34.52 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 54.2 mt -83.86 -60.51 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.18 -47.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -56.37 -39.22 72.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.1 tttp -74.75 -33.01 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -107.74 23.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -77.48 140.64 64.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 -26.33 27.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -86.38 -36.02 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 33' ' ' LEU . 4.5 mtpm? -79.42 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -36.85 -53.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -52.15 -54.42 30.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -39.29 -30.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.19 -44.74 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' THR . 13.2 t80 -45.69 -37.38 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -57.08 -47.91 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.91 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.2 mt -45.99 -70.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -38.47 -54.73 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 56.1 m -37.91 -43.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.658 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.5 t80 -49.17 -46.1 44.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.09 42.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.5 t -52.35 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 68' ' ' TYR . 32.8 mt -50.87 -56.09 13.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 47.6 t -37.62 -32.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.2 m120 -93.93 141.4 23.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.85 13.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.65 -39.15 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HB3' HG13 ' A' ' 58' ' ' VAL . 44.8 mttm -80.37 -15.08 57.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -86.93 -64.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.2 ptmm? -45.53 -42.84 11.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.656 ' CE2' HD21 ' A' ' 59' ' ' LEU . 14.2 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.699 ' CE2' HG11 ' A' ' 58' ' ' VAL . 28.0 m-85 -46.12 -54.03 9.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE1' HD13 ' A' ' 59' ' ' LEU . 30.7 m-85 -51.56 -43.75 62.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.08 -57.35 7.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -38.44 -42.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.81 -41.71 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.93 53.07 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.52 172.66 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -83.37 169.73 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 49.2 mtm180 -81.83 100.85 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.79 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.83 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t -71.74 171.58 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -47.57 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.29 -63.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -45.0 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.11 -36.84 75.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 25.5 ttpt -72.02 -70.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 39.6 mttm -36.94 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.46 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.067 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.2 t80 -53.44 -56.55 15.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 30.6 mtp180 -57.5 -57.81 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' ARG . 26.4 ttm180 -34.79 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 69.8 mt -84.63 -60.12 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -38.63 -51.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.2 mm? -53.12 -37.34 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.6 tttm -80.74 -28.65 36.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 96.0 m-85 -112.44 34.2 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.8 t-80 -88.61 140.72 29.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.72 -16.94 37.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -94.16 -30.7 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.48 -52.45 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -64.38 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 94.6 m -44.39 -61.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 16.5 mp0 -39.4 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.82 -43.12 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 9.9 t80 -40.73 -47.04 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -44.23 -52.08 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.25 88.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.44 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -49.95 -70.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.35 -51.17 2.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.5 m -43.27 -45.46 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.93 -58.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' CB ' ' A' ' 60' ' ' SER . 72.7 t80 -48.61 -45.72 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.62 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.699 HG11 ' CE2' ' A' ' 9' ' ' TYR . 87.9 t -65.3 -71.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 10' ' ' TYR . 29.9 mt -53.56 -52.39 59.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.6 t -39.17 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' LEU . 22.6 m-20 -99.42 143.95 27.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.96 5.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.18 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.9 mttt -69.22 -23.35 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 58.5 ttt180 -78.72 -49.72 12.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -63.07 -40.35 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 64' ' ' LYS . 1.6 pp0? -70.94 -35.94 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.863 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 30.7 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 23.8 m-85 -38.06 -57.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.2 m-85 -48.29 -36.66 14.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 5.2 mm-40 -75.87 -55.72 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -41.17 -42.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.827 ' O ' HD11 ' A' ' 31' ' ' LEU . 43.7 mt -78.99 -41.07 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.1 46.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.07 172.26 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -81.19 167.72 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 37.4 mtm180 -77.79 102.52 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 16.36 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.21 137.97 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 m -71.81 166.38 22.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 m-20 -50.94 -28.97 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.39 -58.87 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.659 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.7 t70 -56.71 -46.56 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.5 mt -57.7 -37.54 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -66.7 -67.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -45.32 -53.96 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.16 -55.9 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.571 ' HD1' HG22 ' A' ' 52' ' ' ILE . 13.2 t80 -46.45 -53.56 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.8 mtp180 -60.83 -59.75 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 29' ' ' ARG . 12.0 ttm180 -34.77 -32.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.6 mt -85.46 -58.54 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -40.75 -51.61 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -55.66 -36.21 66.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.0 ttmm -75.95 -33.38 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -108.35 24.51 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.1 t-80 -79.2 140.69 57.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.74 -21.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -94.92 -22.07 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -90.82 -54.57 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.76 -41.18 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 37' ' ' PRO . 2.0 m -58.09 -47.03 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -48.72 -26.72 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.8 -45.2 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -44.57 -40.68 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.09 -60.38 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.05 -39.5 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -56.37 -63.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.18 -45.43 3.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.2 m -50.09 -56.6 10.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -53.83 -61.69 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' SER . 90.4 t80 -47.44 -53.05 15.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.12 -41.3 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 64' ' ' LYS . 96.7 t -73.7 -66.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.755 HD21 ' CE2' ' A' ' 68' ' ' TYR . 76.8 mt -54.97 -59.86 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' LEU . 52.0 p -36.2 -34.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 2.1 t-20 -91.17 141.35 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.4 Cg_endo -69.85 -44.99 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.88 -61.52 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 58' ' ' VAL . 67.4 mttt -55.69 -31.34 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.56 -41.07 72.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -46.61 -63.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -55.19 -37.22 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.755 ' CE2' HD21 ' A' ' 59' ' ' LEU . 74.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.6 m-85 -46.92 -58.53 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 77.8 m-85 -52.11 -38.8 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.29 -58.38 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.85 -44.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 31' ' ' LEU . 47.6 mt -77.57 -36.61 51.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.91 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.62 179.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -95.25 162.75 13.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.551 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 16.5 mtm105 -73.58 101.52 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.27 16.76 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.37 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 t -62.34 169.56 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -60.54 -53.06 62.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 7.4 pt-20 -54.64 -46.02 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 8.3 m-20 -57.01 -47.69 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.3 -43.83 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 2.7 ttmp? -65.97 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.8 mptp? -35.38 -60.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.19 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -49.6 -52.14 32.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' LEU . 17.6 mtp180 -56.47 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 22.9 ttt180 -37.23 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 13' ' ' LEU . 65.1 mt -84.53 -59.57 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.25 -49.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.11 -43.21 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 43.2 tttp -74.03 -16.1 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.616 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 76.5 m-85 -120.61 20.13 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 t-80 -83.59 140.65 41.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.77 -12.93 33.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -103.86 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -62.85 -19.79 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' OD1' ' CB ' ' A' ' 45' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -39.95 -49.97 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -58.44 -53.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -42.53 -25.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -85.08 -45.44 12.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -42.76 -43.57 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -51.91 -45.15 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.33 -48.86 63.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.3 mt -47.76 -69.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.59 -45.68 1.02 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 58' ' ' VAL . 30.0 m -52.61 -52.4 55.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.26 -58.2 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 88.6 t80 -51.41 -38.86 55.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.73 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.775 HG13 ' HB3' ' A' ' 64' ' ' LYS . 94.2 t -73.56 -64.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.35 -41.77 80.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 66.1 p -50.22 -38.1 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -86.78 144.0 36.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.83 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.6 -49.06 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.2 mttt -68.85 -21.85 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -83.39 -61.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -49.81 -36.72 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 6.7 pt20 -69.94 -34.29 73.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 66.4 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.597 ' CE2' HG11 ' A' ' 58' ' ' VAL . 23.3 m-85 -44.18 -53.54 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.657 ' CE1' HD13 ' A' ' 59' ' ' LEU . 70.9 m-85 -53.91 -38.12 64.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.5 -40.48 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.62 -34.62 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 31' ' ' LEU . 27.1 mt -88.42 -30.98 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.02 46.17 3.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.2 m -140.32 175.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m -85.73 166.01 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 81.4 mtm180 -77.8 104.32 8.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.62 16.34 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 133.63 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.48 162.31 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.37 -61.18 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -44.92 -47.44 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.15 -52.28 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.21 -31.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -71.89 -56.21 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -45.77 -57.04 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.36 -53.21 60.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -48.09 -47.48 34.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.7 mtt180 -62.33 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ARG . 16.3 ttt-85 -37.31 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 13' ' ' LEU . 89.6 mt -86.25 -61.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.97 -43.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.39 -38.32 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.2 tttp -70.31 -24.2 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 90.2 m-85 -106.86 -10.29 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.6 t-80 -53.25 140.69 43.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.709 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.569 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.76 -43.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.745 2.296 . . . . 0.0 112.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.81 -38.34 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -82.75 -62.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.9 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -49.67 -50.98 41.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.46 -34.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . . . -73.16 -41.56 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 3.3 t80 -44.42 -36.14 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.41 68.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD1' ' A' ' 28' ' ' TYR . 2.3 mt -41.95 -59.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.78 -46.0 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.812 ' O ' HG23 ' A' ' 58' ' ' VAL . 89.9 m -52.21 -29.5 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.67 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 60' ' ' SER . 17.5 t80 -52.72 -41.16 63.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.5 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 54' ' ' THR . 97.6 t -80.92 -66.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 10' ' ' TYR . 37.1 mt -56.69 -40.66 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 38.4 t -50.56 -35.96 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.5 m120 -91.69 144.58 29.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.85 2.38 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 pt-20 -65.8 -46.25 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 68.3 mttt -74.66 -19.7 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.7 ttt-85 -84.51 -60.48 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 5.8 ptmm? -47.03 -47.15 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 1.2 pp0? -64.68 -35.49 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 44.3 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 23.8 m-85 -54.12 -66.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE1' HD13 ' A' ' 59' ' ' LEU . 72.5 m-85 -42.29 -34.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -73.38 -48.99 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -51.59 -37.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.755 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -84.69 -36.57 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.42 51.23 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG21 HD23 ' A' ' 24' ' ' LEU . 26.2 m -139.76 174.02 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -80.8 161.6 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.4 mpp_? -73.63 100.28 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.46 16.84 4.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.86 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -65.99 167.31 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -46.03 -62.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.34 -56.31 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 11.7 t0 -52.79 -56.5 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 mt -50.88 -35.12 31.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -69.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -39.27 -56.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 14.6 t80 -57.29 -56.55 20.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.6 mtt180 -57.12 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.2 ttm180 -37.0 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 13' ' ' LEU . 63.2 mt -89.14 -56.28 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.72 -46.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.4 -45.62 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 1.6 tmtp? -67.98 -23.64 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 60.9 m-85 -113.33 14.58 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.4 t-80 -75.11 140.69 73.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.684 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.74 -15.06 36.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.06 -15.57 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -98.0 -50.44 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -65.36 -41.32 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 37' ' ' PRO . 35.7 m -57.41 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -39.6 -30.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.79 -42.23 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.1 t80 -44.18 -47.26 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -52.69 -33.28 46.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.79 -35.2 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 35' ' ' PHE . 4.4 mt -63.04 -64.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -39.05 -35.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.3 m -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -68.6 -53.48 22.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.2 t80 -52.05 -52.89 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.01 -50.83 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.624 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.3 t -52.93 -63.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.542 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.6 mt -66.14 -16.88 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' TYR . 1.3 t -75.24 -29.31 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 17.8 m-80 -95.28 143.2 25.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.32 36.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.16 -47.84 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 58' ' ' VAL . 87.8 mttt -76.4 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.7 ttt180 -91.12 -60.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.65 -40.0 62.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -65.86 -36.17 82.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 42.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.562 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 19.3 m-85 -55.24 -61.8 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -43.41 -40.5 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.35 -50.58 30.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -45.68 -22.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.667 ' O ' HD11 ' A' ' 31' ' ' LEU . 10.4 mt -107.61 -22.56 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.28 59.75 2.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.23 179.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 m -93.06 158.78 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -71.74 103.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.08 15.65 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.43 132.55 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -64.94 -177.94 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.95 -28.46 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 9.9 pt-20 -72.07 -51.39 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.864 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.7 t0 -57.32 -43.51 83.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.55 -36.79 85.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -68.11 -70.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.5 mttm -36.82 -56.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.52 85.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 16.2 t80 -52.9 -47.75 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 42.8 mtm180 -61.78 -68.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' ARG . 11.9 ttt180 -35.04 -34.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.667 HD11 ' O ' ' A' ' 13' ' ' LEU . 82.8 mt -81.56 -57.77 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -42.22 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HE2' ' A' ' 39' ' ' LYS . 5.2 mp -72.09 -30.29 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.1 tttm -70.49 -24.59 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 52' ' ' ILE . 90.6 m-85 -107.03 -24.31 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 7.0 t-80 -40.03 140.48 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.72 -22.05 32.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.29 -33.7 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HE2' HD23 ' A' ' 33' ' ' LEU . 10.1 mptt -89.13 -52.84 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -38.32 -50.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 37' ' ' PRO . 32.3 m -58.28 -55.25 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -45.8 -21.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -80.84 -37.16 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 2.8 t80 -45.06 -34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -66.36 -35.52 80.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.74 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.588 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.5 mt -58.2 -64.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.06 -45.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.3 m -54.44 -48.37 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.67 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 58.0 t80 -53.48 -38.26 63.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.27 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.67 -59.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 68' ' ' TYR . 70.5 mt -62.24 -57.84 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.9 t -42.9 -29.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -85.34 144.03 40.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.14 -60.23 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -48.24 -32.74 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -74.84 -40.8 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -49.5 -62.22 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -54.23 -44.22 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.586 ' CE2' HD21 ' A' ' 59' ' ' LEU . 54.6 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' TYR . 16.8 m-85 -48.5 -66.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' TYR . 38.0 m-85 -37.9 -39.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -73.58 -48.01 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -47.91 -33.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 28' ' ' TYR . 71.2 mt -94.16 -36.85 11.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.06 58.34 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.57 172.76 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -85.21 162.45 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 101.69 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.23 15.16 3.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.54 134.59 51.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -62.87 172.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.673 ' HA ' HD12 ' A' ' 24' ' ' LEU . 30.9 m-20 -53.35 -49.43 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -48.86 -62.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 7.1 t0 -47.31 -53.62 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.1 mt -52.17 -39.16 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 35.0 ttpt -70.28 -64.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 23' ' ' ASP . 6.8 mtmp? -39.12 -57.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.3 t80 -52.13 -52.54 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 32.2 mtt-85 -65.17 -61.08 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttm180 -36.05 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 96.1 mt -82.87 -60.65 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -47.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.59 -41.01 89.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LEU . 26.3 tttt -71.35 -29.6 65.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.37 10.14 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -71.18 140.63 85.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.3 Cg_endo -69.78 -34.49 14.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -43.13 67.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.13 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -35.4 -50.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.35 -49.39 77.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -46.12 -22.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . -85.63 -44.4 12.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 5.1 t80 -38.91 -37.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -63.23 -46.08 88.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -63.6 -51.98 62.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.492 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -36.65 -60.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -45.02 -62.18 3.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' GLY . 25.4 m -34.15 -50.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -57.04 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 93.6 t80 -55.17 -56.77 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.4 -30.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.31 -71.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CB ' HD22 ' A' ' 24' ' ' LEU . 18.3 mt -48.06 -53.54 16.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -42.84 -27.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 43.7 m-20 -92.43 144.1 28.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -39.83 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.71 -55.1 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -19.21 54.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 62.5 ttt180 -83.84 -55.07 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 6.0 ptpp? -59.72 -35.68 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 1.8 pp0? -71.14 -32.56 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 58' ' ' VAL . 21.5 m-85 -50.64 -48.67 58.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 59' ' ' LEU . 23.4 m-85 -52.64 -38.99 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.85 -51.22 23.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.9 mt -44.31 -37.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.9 mt -89.35 -35.78 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 55.23 1.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.86 175.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 m -85.43 164.93 17.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 1.8 mpp_? -76.55 100.17 5.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 16.69 3.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.85 129.8 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -62.92 170.94 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 -47.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -37.45 -59.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.601 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.5 t0 -47.95 -52.84 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.4 mt -58.35 -40.2 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -66.43 -69.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -38.68 -56.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.85 76.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -50.73 -50.95 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.9 mtm180 -57.51 -68.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.7 ttt180 -34.52 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.1 mt -81.41 -57.68 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -46.26 -47.56 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.5 -27.03 68.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 11.1 ttmm -77.08 -35.77 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 52' ' ' ILE . 99.2 m-85 -98.24 -10.12 24.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 t-80 -47.55 140.77 7.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.81 -27.86 25.72 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.18 -38.36 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -84.37 -36.47 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.43 ' OD1' ' CB ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . . . -72.38 -57.36 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -53.07 -40.87 64.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.03 -23.71 21.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.26 -44.49 13.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -39.79 -39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.13 -52.05 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.06 83.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.6 mt -39.39 -61.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -50.03 -58.19 8.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.439 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 58' ' ' VAL . 86.3 m -35.86 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.153 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -83.18 -53.78 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 60' ' ' SER . 84.3 t80 -54.41 -41.63 69.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.04 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 9' ' ' TYR . 76.8 t -66.55 -67.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 10' ' ' TYR . 38.3 mt -59.11 -46.76 87.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.9 t -46.7 -33.38 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 87.0 m-20 -94.89 140.26 22.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.81 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.2 -46.13 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -78.59 -17.95 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 65.4 ttt-85 -86.36 -53.71 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -46.42 -52.42 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 13.2 pt20 -58.11 -42.56 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 2.9 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.739 ' CE2' HG21 ' A' ' 58' ' ' VAL . 23.5 m-85 -51.2 -56.23 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -41.94 -38.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -73.52 -53.93 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.04 -38.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.6 mt -85.84 -40.58 15.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.99 55.17 1.07 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -142.03 173.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -83.37 167.11 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.52 101.19 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.22 16.84 4.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.56 133.93 50.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -65.44 160.57 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.14 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -41.65 -59.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.54 14.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.88 -36.11 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -63.27 -65.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -45.67 -54.38 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.24 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.0 t80 -56.68 -57.78 10.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.4 mtp85 -57.11 -58.05 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.6 ttm180 -34.6 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 ' O ' ' A' ' 13' ' ' LEU . 38.8 mt -84.1 -61.13 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.02 -49.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.97 -34.95 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.543 ' HD3' ' CZ ' ' A' ' 35' ' ' PHE . 15.4 tttp -81.45 -28.3 34.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CZ ' ' HD3' ' A' ' 34' ' ' LYS . 70.1 m-85 -114.85 30.27 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.6 t-80 -76.9 140.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.2 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.65 -34.29 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 36' ' ' HIS . 1.7 ttmm -77.07 -68.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.76 -61.23 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.087 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -52.55 -49.02 65.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -43.07 -26.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.01 -38.85 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.84 -44.33 66.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -49.73 -48.07 50.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.52 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -50.96 -64.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -38.27 -53.66 2.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.8 m -47.75 -43.66 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.92 -58.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -48.62 -44.65 37.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.86 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 9' ' ' TYR . 88.2 t -60.61 -70.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.2 -53.49 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.4 t -46.44 -27.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 93.8 m-20 -93.84 146.82 32.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.99 -60.12 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -51.55 -30.27 20.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.9 ttt-85 -81.01 -41.87 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -47.66 -62.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.97 -39.26 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 24.3 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 32.5 m-85 -49.34 -49.22 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 59' ' ' LEU . 63.7 m-85 -51.59 -37.39 49.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.34 -55.76 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -41.98 -39.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.695 ' O ' HD11 ' A' ' 31' ' ' LEU . 17.7 mt -79.56 -37.45 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.88 43.75 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 -176.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -93.41 163.1 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -72.95 101.53 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.54 16.9 4.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.59 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -64.66 170.06 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 p30 -49.67 -47.17 50.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.07 -59.53 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.777 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 3.7 t70 -48.86 -46.49 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.9 mt -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.42 -61.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -47.6 -54.45 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.15 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.1 t80 -55.45 -54.72 40.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ARG . 32.5 mtt-85 -50.76 -63.08 1.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.5 ttt-85 -34.46 -36.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.6 mt -76.01 -63.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -42.18 -52.9 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.1 mm? -52.95 -31.19 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.5 ttmm -86.41 -30.9 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -110.91 33.41 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.0 t-80 -84.92 140.66 37.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.722 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.74 -31.31 20.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.91 -32.76 57.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 12.3 mttp -91.3 -60.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.96 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 37' ' ' PRO . 88.7 m -59.66 -51.22 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -45.39 -33.77 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.65 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 19.8 t80 -48.05 -51.33 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -40.1 -42.32 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -50.0 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' CD1' ' A' ' 28' ' ' TYR . 6.7 mt -44.17 -69.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.15 -55.64 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 m -41.97 -38.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -75.03 -55.35 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -49.93 -44.38 50.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.86 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' THR . 73.0 t -49.76 -60.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.2 mt -67.21 -26.49 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -65.22 -38.06 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.42 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 2.3 t-20 -88.41 140.74 30.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.8 Cg_endo -69.74 -25.85 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -83.96 -39.64 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -80.42 -19.24 46.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -83.12 -48.9 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 12.8 ptmm? -54.34 -44.45 72.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 8.3 pt20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 45.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.9 m-85 -50.96 -54.57 23.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -48.18 -36.5 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -71.23 -57.32 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.7 mt -39.85 -42.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' O ' HD11 ' A' ' 31' ' ' LEU . 26.4 mt -81.32 -37.21 28.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.58 52.28 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -139.99 173.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -80.46 164.82 22.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -78.35 103.01 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.55 16.79 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.22 138.66 57.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -71.54 164.05 26.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.709 ' HA ' HD12 ' A' ' 24' ' ' LEU . 40.4 t0 -48.31 -51.33 26.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -46.55 -64.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -48.24 -60.84 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 21' ' ' ASP . 10.4 mt -38.84 -47.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.63 -65.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -38.94 -53.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -49.2 77.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.491 ' CD1' HG22 ' A' ' 52' ' ' ILE . 41.6 t80 -52.9 -51.56 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.507 ' O ' HD12 ' A' ' 33' ' ' LEU . 27.1 mtp180 -54.98 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.9 ttt180 -36.66 -36.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -79.06 -59.39 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.37 -51.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.83 -38.82 79.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 35' ' ' PHE . 7.4 tmtm? -75.63 -25.18 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CE1' ' HE3' ' A' ' 34' ' ' LYS . 72.5 m-85 -113.91 21.64 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.2 t-80 -80.21 140.76 53.19 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.699 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.4 Cg_endo -69.81 -26.86 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 -45.14 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HE3' HD23 ' A' ' 33' ' ' LEU . 53.1 mttm -75.4 -54.1 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.87 -47.18 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 37' ' ' PRO . 11.2 m -69.61 -40.06 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.18 -19.52 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.12 -40.84 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HE1' ' HH ' ' A' ' 28' ' ' TYR . 12.7 t80 -46.75 -44.82 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.76 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.97 36.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.7 mt -49.93 -68.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.16 -42.94 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.1 m -54.71 -50.3 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 111.153 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.54 -61.88 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' ' CB ' ' A' ' 60' ' ' SER . 33.9 t80 -51.43 -39.38 57.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.8 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 54' ' ' THR . 98.9 t -79.94 -61.18 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.01 -46.75 89.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.5 t -45.24 -29.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -95.77 147.06 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.95 -62.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -47.41 -28.55 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.22 -39.84 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -49.83 -58.65 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -51.91 -34.73 42.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 37.5 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 21.4 m-85 -44.99 -56.27 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 41.2 m-85 -47.72 -40.09 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.47 -56.51 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -40.07 -41.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.8 mt -78.33 -43.98 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.84 41.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG21 HD23 ' A' ' 24' ' ' LEU . 11.8 m -133.15 176.99 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -83.16 166.58 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 21.9 mtp180 -76.65 98.61 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.6 16.87 3.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.26 130.79 44.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 154.13 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 24' ' ' LEU . 37.7 m-20 -43.16 -39.11 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.93 -52.42 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.609 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.0 t0 -60.77 -55.99 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.8 mt -50.0 -33.64 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 54.5 tttt -67.18 -71.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -41.64 -54.91 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.81 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.6 t80 -49.99 -53.11 28.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' LEU . 74.1 mtt180 -57.84 -57.56 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ARG . 43.8 ttt85 -37.22 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ARG . 41.1 mt -86.86 -56.43 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.51 -46.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.31 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 44.9 tttt -76.72 -11.33 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 96.0 m-85 -125.41 17.08 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 t-80 -77.93 140.7 62.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.665 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.3 Cg_endo -69.84 -11.26 30.37 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.5 -62.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -54.23 -25.92 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -56.47 -50.49 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.665 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -57.3 -45.67 83.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -47.48 -20.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.03 -43.39 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -44.26 -45.15 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -55.27 -34.18 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.23 -42.36 26.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.3 mt -51.69 -70.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.24 -50.85 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -42.97 -51.18 5.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.84 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -47.19 -50.39 20.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.25 -56.56 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.4 t -50.93 -70.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 68' ' ' TYR . 38.2 mt -53.65 -61.73 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.2 t -34.5 -36.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 2.1 t-20 -88.88 141.23 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.6 Cg_endo -69.82 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -60.5 -59.84 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -54.89 -35.06 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -65.96 -40.07 90.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -50.85 -62.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.43 -34.55 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CE2' HD21 ' A' ' 59' ' ' LEU . 56.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' TYR . 26.0 m-85 -64.14 -60.67 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' CE1' HD13 ' A' ' 59' ' ' LEU . 45.5 m-85 -36.08 -41.37 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.71 -54.92 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -40.62 -42.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HD11 ' A' ' 31' ' ' LEU . 8.0 mt -83.89 -31.28 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.01 54.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.06 167.73 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -77.95 166.03 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 47.2 mtp180 -79.81 102.18 8.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.23 3.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.71 145.07 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -73.8 167.99 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HA ' HD12 ' A' ' 24' ' ' LEU . 42.8 m-20 -54.27 -42.29 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.01 -49.35 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -59.89 -53.5 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.7 mt -54.12 -45.44 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.19 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -41.18 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.41 77.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CD1' HG22 ' A' ' 52' ' ' ILE . 22.1 t80 -50.0 -49.36 50.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 71.8 mtt-85 -60.08 -67.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -38.78 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD11 ' O ' ' A' ' 13' ' ' LEU . 88.7 mt -84.52 -64.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.48 -41.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 39' ' ' LYS . 3.3 mp -66.76 -36.63 82.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 53.4 tttt -77.06 -10.27 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 52' ' ' ILE . 92.0 m-85 -118.41 -12.29 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.3 t-80 -56.31 140.67 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.71 -22.89 31.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.13 -37.24 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 33' ' ' LEU . 15.2 mtpp -81.35 -51.93 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.81 -53.67 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.6 m -54.54 -40.8 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.12 -23.37 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.48 -38.74 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -42.04 -44.22 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 9.3 ptmt -55.52 -45.32 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -64.06 -55.8 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 35' ' ' PHE . 1.9 mt -34.06 -54.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -52.9 -64.43 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLY . 24.9 m -35.89 -32.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.123 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -77.61 -56.57 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.8 -46.03 78.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.47 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 59' ' ' LEU . 20.0 t -77.41 -69.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 10' ' ' TYR . 14.1 mt -54.38 -48.45 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -41.95 -26.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 29.6 m-80 -101.69 142.78 25.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -35.93 11.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 15.7 pt-20 -73.68 -45.55 51.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 43.5 mttm -77.27 -15.56 59.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 55.4 ttt-85 -86.29 -63.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -51.44 -36.91 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -68.38 -33.88 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.853 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 26.0 m-85 -76.8 -48.63 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 77.2 m-85 -52.12 -40.8 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -63.31 -59.01 5.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 85.3 mt -38.73 -57.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD11 ' A' ' 31' ' ' LEU . 11.6 mt -67.49 -46.09 73.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.89 53.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.54 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 24' ' ' LEU . 34.8 m -144.05 174.53 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -85.62 173.48 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 6.5 mpt_? -82.67 102.0 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.66 15.36 4.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.53 147.71 51.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.9 p -80.51 169.82 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -62.27 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.57 -47.43 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.71 -59.4 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 15' ' ' VAL . 11.5 mt -47.92 -42.85 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -59.2 -65.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -41.29 -56.83 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.38 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE1' HG22 ' A' ' 52' ' ' ILE . 15.9 t80 -53.06 -53.34 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ARG . 79.4 mtt-85 -53.79 -63.04 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.1 ttt180 -34.35 -37.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.004 HD11 ' O ' ' A' ' 13' ' ' LEU . 29.3 mt -75.27 -65.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.88 -46.42 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.9 -35.74 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.3 tttm -81.35 -30.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 85.3 m-85 -109.65 31.55 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -86.18 140.57 34.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.67 -36.53 10.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -84.2 10.62 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -132.39 -63.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.43 ' OD1' ' CB ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.43 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . . . -54.04 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.2 m -53.79 -46.52 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -48.06 -38.6 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.81 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -40.78 -48.59 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -48.17 -48.61 34.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.08 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.7 mt -43.53 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -37.32 -54.23 1.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 57.2 m -37.56 -46.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -57.55 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -48.81 -47.25 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 -42.74 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 64' ' ' LYS . 84.2 t -65.77 -70.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ASN . 25.0 mt -53.88 -56.27 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.8 t -36.62 -34.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.4 m120 -90.3 141.97 28.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -41.25 4.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.82 -47.59 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HB3' HG13 ' A' ' 58' ' ' VAL . 43.8 mttm -71.99 -21.16 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.3 ttt180 -82.63 -41.93 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.1 pttp -64.28 -33.87 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 6.3 pt20 -72.68 -33.59 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 11.3 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.02 -49.44 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.97 -34.44 59.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -73.83 -47.76 36.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.7 -44.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' HD11 ' A' ' 31' ' ' LEU . 30.5 mt -78.46 -38.02 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 54.51 1.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.27 -179.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -88.48 158.03 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -71.09 99.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.92 16.85 3.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.24 134.55 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -66.23 166.1 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -47.75 -57.65 5.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -44.94 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.9 t70 -54.26 -55.92 23.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.4 mt -54.33 -36.6 63.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.83 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -45.08 -52.84 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -53.87 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.523 ' CD1' HG22 ' A' ' 52' ' ' ILE . 43.9 t80 -51.76 -44.85 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 33' ' ' LEU . 22.5 mtp180 -62.01 -61.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -40.45 -26.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.8 mt -90.36 -57.2 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.22 -49.7 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.41 -42.18 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 23.9 tttm -71.47 -21.23 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 98.0 m-85 -120.49 22.96 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.1 t-80 -81.27 140.66 49.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.5 Cg_endo -69.73 -7.05 20.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -111.37 -47.92 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' HD23 ' A' ' 33' ' ' LEU . 38.7 mttt -77.86 -28.32 50.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -50.05 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -60.27 -56.41 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -38.82 -35.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.51 67.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' THR . 15.4 t80 -43.03 -44.29 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' ALA . 10.5 ptmt -54.44 -39.77 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' LYS . . . -71.33 -34.71 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.0 mt -64.48 -60.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.63 -44.65 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.2 m -52.64 -50.86 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -58.91 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -47.49 -48.86 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.64 -51.81 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.25 -68.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 68' ' ' TYR . 59.4 mt -52.06 -61.71 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 80.4 p -37.9 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' LEU . 21.5 t-20 -95.0 140.07 22.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.433 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 53.7 Cg_endo -69.76 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 26.2 mm-40 -62.6 -59.36 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 61' ' ' ASN . 10.4 mtpt -51.18 -34.5 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -65.45 -43.98 88.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -47.8 -57.8 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 5.5 pt20 -56.28 -38.08 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.61 ' CE2' HD21 ' A' ' 59' ' ' LEU . 12.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -63.63 -53.03 57.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.0 m-85 -46.1 -42.63 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -65.44 -57.35 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -40.86 -39.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' HD11 ' A' ' 31' ' ' LEU . 28.2 mt -81.69 -41.73 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.53 44.09 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.1 m -137.2 174.47 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -84.28 168.56 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 41.2 mtt180 -80.53 101.14 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.7 16.89 3.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 140.0 57.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -70.98 162.88 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.4 m-20 -45.63 -48.21 14.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.64 -54.76 20.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.07 -57.72 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 21' ' ' ASP . 7.8 mt -49.47 -37.73 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -68.05 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -42.0 -55.4 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.49 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.5 t80 -52.48 -54.8 27.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.9 mtp180 -58.74 -58.8 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.4 ttm-85 -35.55 -31.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.684 HD11 ' O ' ' A' ' 13' ' ' LEU . 70.1 mt -83.21 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.46 -49.36 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.6 -34.72 67.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 35' ' ' PHE . 32.1 tttt -83.99 -27.21 28.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.678 ' HD1' ' HB1' ' A' ' 45' ' ' ALA . 42.1 m-85 -111.87 32.63 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -88.76 140.66 29.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.85 -14.04 35.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -94.46 -40.47 9.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -82.96 -51.58 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HB1' ' HD1' ' A' ' 35' ' ' PHE . . . -65.45 -61.28 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 37' ' ' PRO . 24.6 m -47.95 -64.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' THR . 25.9 mm-40 -34.96 -45.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -53.24 -45.8 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 46' ' ' THR . 7.8 t80 -41.77 -51.22 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -44.02 -46.79 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -53.02 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.6 mt -38.46 -64.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.85 -58.61 4.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.0 m -34.31 -41.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.55 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 76.0 t80 -47.34 -44.95 24.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.49 -46.29 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 64' ' ' LYS . 92.3 t -57.58 -71.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD12 HD22 ' A' ' 24' ' ' LEU . 30.7 mt -51.79 -51.53 55.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 t -46.69 -28.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 2.4 t-20 -96.08 140.29 22.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -29.31 24.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -78.33 -49.09 14.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.753 ' HB3' HG13 ' A' ' 58' ' ' VAL . 45.4 mttm -73.53 -20.9 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.1 ttt180 -85.24 -53.01 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -48.92 -36.53 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 7.2 pt20 -71.38 -34.53 70.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -132.67 150.48 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -40.1 151.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -91.91 -134.03 6.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 47.9 t 37.61 43.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -107.8 -56.06 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.45 97.34 1.95 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -120.54 140.52 51.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.674 ' CE2' ' CD1' ' A' ' 68' ' ' TYR . 16.5 m-85 -49.59 -63.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 17' ' ' ARG . 55.3 m-85 -42.79 -47.8 5.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.14 -55.26 30.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.91 -41.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' LEU . 16.4 mt -81.28 -40.18 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.34 50.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 -178.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 15.1 mmm-85 -73.44 101.83 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.32 16.08 3.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 139.24 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -71.46 179.79 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -60.3 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -41.16 -47.84 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.21 -52.49 65.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.537 HD22 HD12 ' A' ' 59' ' ' LEU . 23.2 mt -56.08 -43.7 78.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' LYS . 22.0 ttpp -62.05 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' LYS . 63.8 mttt -37.11 -58.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.51 -55.02 40.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -46.34 -47.47 18.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 14.3 mtp85 -60.67 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttt180 -36.85 -32.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 13' ' ' LEU . 90.2 mt -79.6 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.05 -51.07 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 29' ' ' ARG . 3.5 mm? -53.13 -33.48 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 28.2 tttt -82.57 -29.55 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 95.0 m-85 -109.13 26.17 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -83.43 140.59 41.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.594 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.76 -17.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 14.2 m-20 -89.58 -37.41 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -86.31 -49.06 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 9.7 t-20 -72.37 153.1 41.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -101.45 -36.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.89 144.13 31.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLY . 53.6 Cg_endo -69.81 -45.49 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.43 -42.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.538 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -71.22 -49.88 38.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.594 HG21 ' HB3' ' A' ' 37' ' ' PRO . 5.8 m -53.16 -52.1 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.47 -38.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -63.78 -47.52 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.8 t80 -35.81 -48.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -48.88 -49.12 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -62.84 -59.43 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.5 mt -36.46 -62.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -47.08 -59.57 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.5 m -36.68 -42.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.7 54.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.18 -53.81 54.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.16 -28.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 64' ' ' LYS . 98.9 t -79.96 -69.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.537 HD12 HD22 ' A' ' 24' ' ' LEU . 19.7 mt -51.03 -25.73 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 p -67.34 -32.49 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -91.52 145.02 30.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -36.72 10.43 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.35 -39.99 37.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.5 mtpp -74.18 -26.18 60.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -83.77 -62.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -47.36 -39.74 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.43 -32.69 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.674 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 88.7 t80 -75.12 -35.54 61.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.4 -41.92 54.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.73 -59.33 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -104.62 -66.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' SER . . . 112.37 163.23 16.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.3 p -35.6 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.814 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.15 -161.75 20.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -47.36 125.82 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.7 m -117.4 161.38 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -93.46 111.38 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 t -76.0 -55.97 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 94.93 0.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -47.05 -41.93 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.812 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -72.68 164.5 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . -129.93 48.19 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -36.52 149.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 27.9 m-85 -73.6 -45.37 53.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 19.6 m-85 -46.9 -38.99 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.12 -53.73 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -43.6 -40.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 31' ' ' LEU . 94.2 mt -80.92 -46.4 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -142.94 173.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -77.37 167.75 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 11.8 mmm-85 -80.28 100.09 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.73 16.4 3.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.47 129.54 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 168.2 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.1 m-20 -46.46 -66.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.0 tt0 -36.07 -56.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -55.23 -49.44 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.5 mt -56.77 -59.53 4.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 25.6 ttmt -46.15 -56.08 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -46.42 -56.6 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.48 -56.84 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.613 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.9 t80 -46.86 -48.19 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.7 mtt180 -59.11 -66.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.3 ttt-85 -37.75 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 13' ' ' LEU . 91.8 mt -85.84 -61.69 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.79 -52.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 2.1 mm? -57.25 -35.59 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 1.5 tmtp? -81.25 -22.87 38.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 69.5 m-85 -114.66 20.12 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.7 t-80 -78.75 140.62 58.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.72 -32.56 18.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.29 -23.94 57.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -99.6 -63.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 17.1 t-20 -73.36 104.42 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -89.43 37.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.85 144.14 47.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.695 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.42 45.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.59 -61.5 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -42.92 -58.4 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.4 m -56.57 -52.84 63.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.47 -33.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.67 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' THR . 6.9 t80 -44.78 -47.18 10.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 1.5 ptmm? -47.99 -43.87 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -70.52 -51.19 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -42.65 -68.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.528 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -39.36 -50.32 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.9 m -46.79 -47.27 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.0 -54.79 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -53.08 -57.2 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.51 -38.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 78.3 t -71.93 -65.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' SER . 93.0 mt -58.36 -59.31 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' LEU . 23.9 p -37.5 -39.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -89.83 143.98 30.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.97 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' HG13 ' A' ' 58' ' ' VAL . 36.4 mttm -56.88 -35.07 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' TYR . 54.2 ttt180 -66.88 -46.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -38.08 -61.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.85 42.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ARG . 65.0 t80 -71.64 -43.72 65.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -69.43 -60.22 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.15 -69.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' SER . . . 123.39 105.97 1.76 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' GLY . 1.8 m 35.62 43.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.49 146.2 21.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.02 69.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 p -55.29 -44.74 75.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -122.52 86.78 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.453 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -136.8 164.51 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -102.03 42.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.49 -101.98 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t 46.61 42.85 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.895 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -84.23 -47.79 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 42.38 2.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.06 151.06 7.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 29.0 m-85 -65.89 -50.39 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 64.7 m-85 -52.18 -36.39 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.01 -56.31 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -41.7 -45.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.783 ' O ' HD11 ' A' ' 31' ' ' LEU . 19.8 mt -76.23 -47.52 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.96 52.28 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.44 177.45 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -89.21 159.3 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.573 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -70.95 102.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.59 15.58 3.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 135.5 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -70.34 164.43 24.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -45.31 -59.46 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' CE ' ' A' ' 26' ' ' LYS . 14.6 tt0 -43.22 -48.52 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.11 -61.81 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.82 -39.84 19.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -63.95 -66.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' CE ' ' HG2' ' A' ' 22' ' ' GLU . 37.7 mttm -44.42 -54.79 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.08 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 52' ' ' ILE . 19.4 t80 -51.95 -52.01 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.4 mtp180 -57.18 -60.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.5 ttt180 -34.54 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 13' ' ' LEU . 43.0 mt -81.89 -61.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.65 -50.29 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -79.53 -29.39 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.66 23.43 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 t-80 -75.65 140.66 71.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.8 Cg_endo -69.78 -11.13 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -102.42 -45.39 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -72.69 -50.2 26.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -52.11 8.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 70.71 25.99 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.26 143.98 36.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.305 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.97 -20.94 58.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.9 -58.79 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.7 m -53.77 -50.3 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -41.45 -28.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.38 -40.58 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.5 t80 -47.96 -51.88 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -43.68 -44.54 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.58 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.556 HG22 ' CE1' ' A' ' 28' ' ' TYR . 4.3 mt -52.37 -68.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.74 -44.9 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 37.1 m -50.61 -49.64 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.317 . . . . 0.0 111.098 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -56.22 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' SER . 88.0 t80 -49.6 -46.0 48.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.82 -43.54 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 64' ' ' LYS . 95.1 t -61.0 -71.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 61' ' ' ASN . 28.2 mt -53.44 -53.27 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 48.4 t -38.37 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.1 t30 -100.62 141.21 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 54.4 Cg_endo -69.75 -34.82 13.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.11 -45.17 42.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 58' ' ' VAL . 25.9 mttm -76.31 -16.25 59.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.7 ttt-85 -88.78 -51.26 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 19.4 ptpt -53.54 -36.93 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 13.1 pt20 -71.6 -34.6 70.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.459 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.9 t80 -72.64 -38.22 67.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.65 -35.73 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -79.94 -50.75 9.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.55 -73.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.1 -165.61 24.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -94.4 148.16 22.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.69 171.86 46.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -1.77 9.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.0 p 51.63 44.62 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -136.47 115.95 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -133.11 155.75 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.827 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -90.03 -64.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.16 106.54 1.91 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -146.62 135.99 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -62.75 -11.17 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 106.94 2.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -105.77 137.44 43.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 68' ' ' TYR . 21.9 m-85 -50.26 -58.41 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -43.13 -46.76 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.94 -53.28 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -44.09 -30.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.51 -36.48 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.51 42.14 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.59 176.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 167.26 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -77.59 100.99 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.84 16.9 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.23 137.56 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p -67.16 162.43 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 m-20 -44.84 -58.3 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -45.23 -54.99 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.59 -45.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.9 mt -63.06 -32.13 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 44.5 tttm -70.5 -68.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -39.0 -57.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.34 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.4 t80 -53.61 -54.38 38.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.8 mtp180 -60.19 -57.87 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.9 ttm180 -34.52 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 54.2 mt -83.86 -60.51 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.18 -47.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -56.37 -39.22 72.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.1 tttp -74.75 -33.01 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -107.74 23.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -77.48 140.64 64.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 -26.33 27.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -86.38 -36.02 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 33' ' ' LEU . 4.5 mtpm? -79.42 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.16 161.44 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 9.1 p80 -122.87 -41.44 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -76.59 143.78 72.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.97 55.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . 117.31 -64.36 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -36.85 -53.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -52.15 -54.42 30.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -39.29 -30.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.19 -44.74 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' THR . 13.2 t80 -45.69 -37.38 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -57.08 -47.91 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.91 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.2 mt -45.99 -70.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -38.47 -54.73 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 56.1 m -37.91 -43.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.658 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.5 t80 -49.17 -46.1 44.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.09 42.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.5 t -52.35 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 68' ' ' TYR . 32.8 mt -50.87 -56.09 13.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 47.6 t -37.62 -32.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.2 m120 -93.93 141.4 23.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.85 13.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.65 -39.15 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HB3' HG13 ' A' ' 58' ' ' VAL . 44.8 mttm -80.37 -15.08 57.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -86.93 -64.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.2 ptmm? -45.53 -42.84 11.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.656 ' CE2' HD21 ' A' ' 59' ' ' LEU . 14.2 t80 -68.23 -36.08 78.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -12.27 59.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -97.26 -58.23 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -82.77 -73.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.23 131.58 5.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.4 t -51.39 -41.08 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.21 178.43 21.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.81 18.2 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -123.91 44.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.0 p -90.78 137.75 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -71.76 136.13 47.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -99.24 174.58 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.19 52.42 6.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -98.33 -45.62 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -113.74 155.68 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.47 -115.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.19 131.54 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.699 ' CE2' HG11 ' A' ' 58' ' ' VAL . 28.0 m-85 -46.12 -54.03 9.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE1' HD13 ' A' ' 59' ' ' LEU . 30.7 m-85 -51.56 -43.75 62.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.08 -57.35 7.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -38.44 -42.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.81 -41.71 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.93 53.07 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.52 172.66 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -83.37 169.73 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 49.2 mtm180 -81.83 100.85 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.79 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.83 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t -71.74 171.58 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -47.57 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.29 -63.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -45.0 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.11 -36.84 75.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 25.5 ttpt -72.02 -70.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 39.6 mttm -36.94 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.46 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.067 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.2 t80 -53.44 -56.55 15.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 30.6 mtp180 -57.5 -57.81 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' ARG . 26.4 ttm180 -34.79 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 69.8 mt -84.63 -60.12 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -38.63 -51.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.2 mm? -53.12 -37.34 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.6 tttm -80.74 -28.65 36.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 96.0 m-85 -112.44 34.2 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.8 t-80 -88.61 140.72 29.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.72 -16.94 37.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -94.16 -30.7 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.48 -52.45 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -73.16 127.23 32.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -87.96 -36.56 17.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.86 143.72 40.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.569 0.699 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -167.5 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.611 2.207 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 -52.17 3.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -64.38 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 94.6 m -44.39 -61.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 16.5 mp0 -39.4 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.82 -43.12 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 9.9 t80 -40.73 -47.04 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -44.23 -52.08 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.25 88.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.44 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -49.95 -70.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.35 -51.17 2.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.5 m -43.27 -45.46 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.93 -58.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' CB ' ' A' ' 60' ' ' SER . 72.7 t80 -48.61 -45.72 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.62 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.699 HG11 ' CE2' ' A' ' 9' ' ' TYR . 87.9 t -65.3 -71.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 10' ' ' TYR . 29.9 mt -53.56 -52.39 59.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.6 t -39.17 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' LEU . 22.6 m-20 -99.42 143.95 27.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.96 5.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.18 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.9 mttt -69.22 -23.35 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 58.5 ttt180 -78.72 -49.72 12.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -63.07 -40.35 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 64' ' ' LYS . 1.6 pp0? -70.94 -35.94 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.6 -50.37 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -68.03 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.09 -72.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.47 -159.15 25.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -102.65 152.31 21.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 65.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m -77.97 112.23 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 m -70.65 131.57 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.515 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p -99.19 -64.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p 42.54 51.9 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.74 79.66 1.06 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -72.21 90.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t 44.33 38.6 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.1 49.61 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 30.7 m-20 -137.19 133.44 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 23.8 m-85 -38.06 -57.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.2 m-85 -48.29 -36.66 14.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 5.2 mm-40 -75.87 -55.72 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -41.17 -42.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.827 ' O ' HD11 ' A' ' 31' ' ' LEU . 43.7 mt -78.99 -41.07 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.1 46.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.07 172.26 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -81.19 167.72 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 37.4 mtm180 -77.79 102.52 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 16.36 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.21 137.97 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 m -71.81 166.38 22.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 m-20 -50.94 -28.97 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.39 -58.87 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.659 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.7 t70 -56.71 -46.56 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.5 mt -57.7 -37.54 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -66.7 -67.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -45.32 -53.96 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.16 -55.9 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.571 ' HD1' HG22 ' A' ' 52' ' ' ILE . 13.2 t80 -46.45 -53.56 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.8 mtp180 -60.83 -59.75 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 29' ' ' ARG . 12.0 ttm180 -34.77 -32.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.6 mt -85.46 -58.54 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -40.75 -51.61 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -55.66 -36.21 66.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.0 ttmm -75.95 -33.38 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -108.35 24.51 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.1 t-80 -79.2 140.69 57.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.74 -21.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -94.92 -22.07 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -90.82 -54.57 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -70.64 150.92 45.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -101.47 -42.89 6.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.9 143.95 50.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 175.4 8.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.4 -62.06 2.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.76 -41.18 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 37' ' ' PRO . 2.0 m -58.09 -47.03 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -48.72 -26.72 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.8 -45.2 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -44.57 -40.68 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.09 -60.38 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.05 -39.5 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -56.37 -63.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.18 -45.43 3.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.2 m -50.09 -56.6 10.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -53.83 -61.69 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' SER . 90.4 t80 -47.44 -53.05 15.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.12 -41.3 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 64' ' ' LYS . 96.7 t -73.7 -66.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.755 HD21 ' CE2' ' A' ' 68' ' ' TYR . 76.8 mt -54.97 -59.86 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' LEU . 52.0 p -36.2 -34.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 2.1 t-20 -91.17 141.35 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.4 Cg_endo -69.85 -44.99 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.88 -61.52 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 58' ' ' VAL . 67.4 mttt -55.69 -31.34 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.56 -41.07 72.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -46.61 -63.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -55.19 -37.22 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.755 ' CE2' HD21 ' A' ' 59' ' ' LEU . 74.0 t80 -69.59 -25.99 64.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.74 -43.06 15.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -65.94 -55.2 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.31 -66.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.31 -171.83 17.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -98.08 171.86 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.18 -158.16 9.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.98 29.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -85.08 137.01 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.0 p -164.43 146.34 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -121.39 143.61 49.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -102.54 154.53 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.2 -46.28 1.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -146.07 148.01 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -117.74 85.99 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.74 101.37 2.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.59 146.99 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.6 m-85 -46.92 -58.53 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 77.8 m-85 -52.11 -38.8 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.29 -58.38 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.85 -44.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 31' ' ' LEU . 47.6 mt -77.57 -36.61 51.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.91 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.62 179.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -95.25 162.75 13.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.551 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 16.5 mtm105 -73.58 101.52 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.27 16.76 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.37 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 t -62.34 169.56 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -60.54 -53.06 62.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 7.4 pt-20 -54.64 -46.02 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 8.3 m-20 -57.01 -47.69 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.3 -43.83 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 2.7 ttmp? -65.97 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.8 mptp? -35.38 -60.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.19 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -49.6 -52.14 32.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' LEU . 17.6 mtp180 -56.47 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 22.9 ttt180 -37.23 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 13' ' ' LEU . 65.1 mt -84.53 -59.57 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.25 -49.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.11 -43.21 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 43.2 tttp -74.03 -16.1 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 76.5 m-85 -120.61 20.13 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 t-80 -83.59 140.65 41.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.77 -12.93 33.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -103.86 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -62.85 -19.79 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -108.52 129.09 55.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 9.3 p80 -85.73 -42.63 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -75.98 143.85 74.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -168.24 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.94 -60.94 2.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -39.95 -49.97 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -58.44 -53.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -42.53 -25.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -85.08 -45.44 12.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -42.76 -43.57 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -51.91 -45.15 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.33 -48.86 63.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.3 mt -47.76 -69.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.59 -45.68 1.02 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 58' ' ' VAL . 30.0 m -52.61 -52.4 55.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.26 -58.2 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 88.6 t80 -51.41 -38.86 55.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.73 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.775 HG13 ' HB3' ' A' ' 64' ' ' LYS . 94.2 t -73.56 -64.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.35 -41.77 80.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 66.1 p -50.22 -38.1 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -86.78 144.0 36.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.83 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.6 -49.06 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.2 mttt -68.85 -21.85 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -83.39 -61.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -49.81 -36.72 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 6.7 pt20 -69.94 -34.29 73.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 66.4 t80 -75.03 -50.95 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.49 -19.62 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -88.12 -63.0 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' GLY . 67.7 m-85 -102.82 -48.99 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PHE . . . -37.91 -91.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -64.42 119.95 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.85 75.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 94.87 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -38.09 -43.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.5 p 40.1 45.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -154.23 142.44 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -105.97 130.46 53.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 -143.63 5.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -115.1 117.51 30.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -143.6 157.0 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.3 49.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -87.38 140.52 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.597 ' CE2' HG11 ' A' ' 58' ' ' VAL . 23.3 m-85 -44.18 -53.54 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.657 ' CE1' HD13 ' A' ' 59' ' ' LEU . 70.9 m-85 -53.91 -38.12 64.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.5 -40.48 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.62 -34.62 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 31' ' ' LEU . 27.1 mt -88.42 -30.98 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.02 46.17 3.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.2 m -140.32 175.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m -85.73 166.01 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 81.4 mtm180 -77.8 104.32 8.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.62 16.34 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 133.63 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.48 162.31 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.37 -61.18 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -44.92 -47.44 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.15 -52.28 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.21 -31.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -71.89 -56.21 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -45.77 -57.04 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.36 -53.21 60.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -48.09 -47.48 34.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.7 mtt180 -62.33 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ARG . 16.3 ttt-85 -37.31 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 13' ' ' LEU . 89.6 mt -86.25 -61.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.97 -43.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.39 -38.32 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.2 tttp -70.31 -24.2 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 90.2 m-85 -106.86 -10.29 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.6 t-80 -53.25 140.69 43.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.709 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.76 -43.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.745 2.296 . . . . 0.0 112.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.81 -38.34 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -82.75 -62.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 41' ' ' HIS . 13.8 t-20 -57.99 168.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 90.2 m-70 -108.54 -53.57 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 143.78 81.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 53.6 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.35 -39.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.9 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -49.67 -50.98 41.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.46 -34.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . . . -73.16 -41.56 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 3.3 t80 -44.42 -36.14 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.41 68.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD1' ' A' ' 28' ' ' TYR . 2.3 mt -41.95 -59.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.78 -46.0 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.812 ' O ' HG23 ' A' ' 58' ' ' VAL . 89.9 m -52.21 -29.5 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.67 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 60' ' ' SER . 17.5 t80 -52.72 -41.16 63.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.5 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 54' ' ' THR . 97.6 t -80.92 -66.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 10' ' ' TYR . 37.1 mt -56.69 -40.66 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 38.4 t -50.56 -35.96 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.447 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.5 m120 -91.69 144.58 29.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.85 2.38 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 pt-20 -65.8 -46.25 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 68.3 mttt -74.66 -19.7 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.7 ttt-85 -84.51 -60.48 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 5.8 ptmm? -47.03 -47.15 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 1.2 pp0? -64.68 -35.49 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 44.3 t80 -66.42 -47.06 74.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.53 -53.55 54.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.04 -63.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -88.44 -70.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.12 176.56 43.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.0 t -52.8 97.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.82 83.43 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.5 t -119.26 136.0 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -79.11 164.45 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -72.9 171.92 11.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -155.01 158.9 39.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 127.87 6.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.1 p -83.52 42.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -43.23 -50.72 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.3 49.63 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -104.13 151.37 23.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 23.8 m-85 -54.12 -66.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE1' HD13 ' A' ' 59' ' ' LEU . 72.5 m-85 -42.29 -34.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -73.38 -48.99 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -51.59 -37.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.755 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -84.69 -36.57 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.42 51.23 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG21 HD23 ' A' ' 24' ' ' LEU . 26.2 m -139.76 174.02 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -80.8 161.6 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.4 mpp_? -73.63 100.28 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.46 16.84 4.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.86 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -65.99 167.31 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -46.03 -62.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.34 -56.31 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 11.7 t0 -52.79 -56.5 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 mt -50.88 -35.12 31.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -69.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -39.27 -56.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 14.6 t80 -57.29 -56.55 20.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.6 mtt180 -57.12 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.2 ttm180 -37.0 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 13' ' ' LEU . 63.2 mt -89.14 -56.28 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.72 -46.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.4 -45.62 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 1.6 tmtp? -67.98 -23.64 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 60.9 m-85 -113.33 14.58 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.4 t-80 -75.11 140.69 73.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.684 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.74 -15.06 36.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.06 -15.57 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -98.0 -50.44 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.454 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 6.3 t-20 -74.42 167.36 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.18 -46.13 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.65 143.14 35.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.699 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -33.75 15.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.74 -49.54 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -65.36 -41.32 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 37' ' ' PRO . 35.7 m -57.41 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -39.6 -30.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.79 -42.23 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.1 t80 -44.18 -47.26 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -52.69 -33.28 46.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.79 -35.2 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 35' ' ' PHE . 4.4 mt -63.04 -64.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -39.05 -35.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.3 m -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -68.6 -53.48 22.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.2 t80 -52.05 -52.89 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.01 -50.83 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.624 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.3 t -52.93 -63.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.542 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.6 mt -66.14 -16.88 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' TYR . 1.3 t -75.24 -29.31 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 17.8 m-80 -95.28 143.2 25.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.32 36.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.16 -47.84 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 58' ' ' VAL . 87.8 mttt -76.4 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.7 ttt180 -91.12 -60.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.65 -40.0 62.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -65.86 -36.17 82.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 42.3 t80 -68.08 -35.87 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -73.94 -54.05 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.19 -66.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -81.19 -58.2 3.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 68' ' ' TYR . . . 65.22 149.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -125.31 95.79 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.0 161.12 27.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.45 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.222 . . . . 0.0 112.378 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.8 t -121.17 -51.16 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -102.59 120.25 40.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -40.31 152.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -119.03 172.93 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.0 150.81 14.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -68.43 114.45 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.802 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -71.89 83.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.06 73.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.2 144.53 37.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.562 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 19.3 m-85 -55.24 -61.8 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -43.41 -40.5 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.35 -50.58 30.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -45.68 -22.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.667 ' O ' HD11 ' A' ' 31' ' ' LEU . 10.4 mt -107.61 -22.56 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.28 59.75 2.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.23 179.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 m -93.06 158.78 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -71.74 103.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.08 15.65 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.43 132.55 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -64.94 -177.94 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.95 -28.46 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 9.9 pt-20 -72.07 -51.39 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.864 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.7 t0 -57.32 -43.51 83.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.55 -36.79 85.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -68.11 -70.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.5 mttm -36.82 -56.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.52 85.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 16.2 t80 -52.9 -47.75 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 42.8 mtm180 -61.78 -68.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' ARG . 11.9 ttt180 -35.04 -34.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.667 HD11 ' O ' ' A' ' 13' ' ' LEU . 82.8 mt -81.56 -57.77 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -42.22 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HE2' ' A' ' 39' ' ' LYS . 5.2 mp -72.09 -30.29 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.1 tttm -70.49 -24.59 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 52' ' ' ILE . 90.6 m-85 -107.03 -24.31 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 7.0 t-80 -40.03 140.48 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.72 -22.05 32.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.29 -33.7 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HE2' HD23 ' A' ' 33' ' ' LEU . 10.1 mptt -89.13 -52.84 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -90.99 117.15 29.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 0.0 OUTLIER -93.35 26.22 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.03 143.79 29.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.536 0.684 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 164.05 35.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.57 -63.94 1.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -38.32 -50.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 37' ' ' PRO . 32.3 m -58.28 -55.25 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -45.8 -21.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -80.84 -37.16 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 2.8 t80 -45.06 -34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -66.36 -35.52 80.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.74 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.588 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.5 mt -58.2 -64.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.06 -45.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.3 m -54.44 -48.37 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.67 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 58.0 t80 -53.48 -38.26 63.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.27 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.67 -59.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 68' ' ' TYR . 70.5 mt -62.24 -57.84 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.9 t -42.9 -29.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -85.34 144.03 40.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.14 -60.23 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -48.24 -32.74 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -74.84 -40.8 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -49.5 -62.22 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -54.23 -44.22 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.586 ' CE2' HD21 ' A' ' 59' ' ' LEU . 54.6 t80 -59.4 -28.72 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.59 -45.63 15.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.24 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.09 -56.22 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.94 -35.74 3.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.4 m -167.18 155.47 9.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 148.35 18.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.57 3.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 m 43.21 50.14 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 m -147.42 158.74 44.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -75.56 -23.23 56.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -114.39 170.07 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.76 66.7 3.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -76.57 99.51 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 p -86.75 -49.52 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.27 83.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -72.27 146.78 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' TYR . 16.8 m-85 -48.5 -66.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' TYR . 38.0 m-85 -37.9 -39.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -73.58 -48.01 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -47.91 -33.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 28' ' ' TYR . 71.2 mt -94.16 -36.85 11.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.06 58.34 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.57 172.76 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -85.21 162.45 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 101.69 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.23 15.16 3.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.54 134.59 51.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -62.87 172.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.673 ' HA ' HD12 ' A' ' 24' ' ' LEU . 30.9 m-20 -53.35 -49.43 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -48.86 -62.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 7.1 t0 -47.31 -53.62 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.1 mt -52.17 -39.16 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 35.0 ttpt -70.28 -64.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 23' ' ' ASP . 6.8 mtmp? -39.12 -57.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.3 t80 -52.13 -52.54 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 32.2 mtt-85 -65.17 -61.08 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttm180 -36.05 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 96.1 mt -82.87 -60.65 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -47.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.59 -41.01 89.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LEU . 26.3 tttt -71.35 -29.6 65.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.37 10.14 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -71.18 140.63 85.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.3 Cg_endo -69.78 -34.49 14.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -43.13 67.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.13 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -87.39 120.41 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -102.79 45.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.3 144.17 50.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 111.063 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.2 44.75 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . 96.92 -63.43 1.04 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -35.4 -50.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.35 -49.39 77.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -46.12 -22.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . -85.63 -44.4 12.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 5.1 t80 -38.91 -37.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -63.23 -46.08 88.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -63.6 -51.98 62.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.492 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -36.65 -60.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -45.02 -62.18 3.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' GLY . 25.4 m -34.15 -50.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -57.04 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 93.6 t80 -55.17 -56.77 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.4 -30.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.31 -71.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CB ' HD22 ' A' ' 24' ' ' LEU . 18.3 mt -48.06 -53.54 16.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -42.84 -27.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 43.7 m-20 -92.43 144.1 28.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -39.83 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.71 -55.1 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -19.21 54.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 62.5 ttt180 -83.84 -55.07 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 6.0 ptpp? -59.72 -35.68 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 1.8 pp0? -71.14 -32.56 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.68 -14.47 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.58 -23.67 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.81 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -81.71 -56.7 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLY . . . -58.7 -107.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -42.67 94.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' GLY . . . -159.34 146.05 12.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.47 3.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.7 p -74.83 147.09 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.0 p -148.56 124.25 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -53.56 -58.55 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -46.54 -44.36 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.06 43.85 2.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m 58.49 42.3 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.881 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 p -64.11 122.67 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.97 65.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.97 144.33 26.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 58' ' ' VAL . 21.5 m-85 -50.64 -48.67 58.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 59' ' ' LEU . 23.4 m-85 -52.64 -38.99 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.85 -51.22 23.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.9 mt -44.31 -37.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.9 mt -89.35 -35.78 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 55.23 1.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.86 175.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 m -85.43 164.93 17.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 1.8 mpp_? -76.55 100.17 5.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 16.69 3.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.85 129.8 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -62.92 170.94 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 -47.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -37.45 -59.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.601 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.5 t0 -47.95 -52.84 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.4 mt -58.35 -40.2 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -66.43 -69.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -38.68 -56.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.85 76.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -50.73 -50.95 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.9 mtm180 -57.51 -68.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.7 ttt180 -34.52 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.1 mt -81.41 -57.68 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -46.26 -47.56 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.5 -27.03 68.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 11.1 ttmm -77.08 -35.77 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 52' ' ' ILE . 99.2 m-85 -98.24 -10.12 24.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 t-80 -47.55 140.77 7.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.81 -27.86 25.72 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.18 -38.36 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -84.37 -36.47 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 28.3 t-20 -108.82 133.02 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.07 36.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.93 140.2 37.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.691 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.35 -38.29 33.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -72.38 -57.36 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -53.07 -40.87 64.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.03 -23.71 21.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.26 -44.49 13.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -39.79 -39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.13 -52.05 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.06 83.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.6 mt -39.39 -61.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -50.03 -58.19 8.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.439 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 58' ' ' VAL . 86.3 m -35.86 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.153 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -83.18 -53.78 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 60' ' ' SER . 84.3 t80 -54.41 -41.63 69.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.04 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 9' ' ' TYR . 76.8 t -66.55 -67.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 10' ' ' TYR . 38.3 mt -59.11 -46.76 87.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.9 t -46.7 -33.38 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 87.0 m-20 -94.89 140.26 22.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.81 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.2 -46.13 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -78.59 -17.95 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 65.4 ttt-85 -86.36 -53.71 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -46.42 -52.42 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 13.2 pt20 -58.11 -42.56 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 2.9 t80 -61.25 -38.73 87.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -51.54 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -59.26 -65.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -73.44 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.18 -134.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.2 m 40.39 54.07 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.962 0.411 . . . . 0.0 110.871 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.57 147.96 17.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.65 10.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.402 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 m -103.36 167.16 9.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.7 p -149.92 134.68 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -44.34 -44.31 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -57.28 151.24 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.01 -166.06 34.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -169.87 107.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -121.33 105.27 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 63.89 4.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.29 132.12 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.739 ' CE2' HG21 ' A' ' 58' ' ' VAL . 23.5 m-85 -51.2 -56.23 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -41.94 -38.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -73.52 -53.93 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.04 -38.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.6 mt -85.84 -40.58 15.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.99 55.17 1.07 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -142.03 173.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -83.37 167.11 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.52 101.19 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.22 16.84 4.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.56 133.93 50.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -65.44 160.57 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.14 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -41.65 -59.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.54 14.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.88 -36.11 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -63.27 -65.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -45.67 -54.38 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.24 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.0 t80 -56.68 -57.78 10.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.4 mtp85 -57.11 -58.05 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.6 ttm180 -34.6 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 ' O ' ' A' ' 13' ' ' LEU . 38.8 mt -84.1 -61.13 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.02 -49.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.97 -34.95 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.543 ' HD3' ' CZ ' ' A' ' 35' ' ' PHE . 15.4 tttp -81.45 -28.3 34.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CZ ' ' HD3' ' A' ' 34' ' ' LYS . 70.1 m-85 -114.85 30.27 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.6 t-80 -76.9 140.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.2 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.65 -34.29 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 36' ' ' HIS . 1.7 ttmm -77.07 -68.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.536 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t-20 -67.77 142.14 56.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -100.9 22.36 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.34 139.36 33.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.34 -35.16 5.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -66.76 -61.23 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.087 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -52.55 -49.02 65.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -43.07 -26.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.01 -38.85 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.84 -44.33 66.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -49.73 -48.07 50.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.52 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -50.96 -64.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -38.27 -53.66 2.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.8 m -47.75 -43.66 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.92 -58.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -48.62 -44.65 37.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.86 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 9' ' ' TYR . 88.2 t -60.61 -70.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.2 -53.49 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.4 t -46.44 -27.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 93.8 m-20 -93.84 146.82 32.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.99 -60.12 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -51.55 -30.27 20.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.9 ttt-85 -81.01 -41.87 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -47.66 -62.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.97 -39.26 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 24.3 t80 -58.76 -29.02 66.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -84.46 -51.58 6.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -66.6 -59.32 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -72.38 -68.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.71 -159.72 3.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.7 m 48.1 42.05 16.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.98 72.91 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 m -171.94 172.43 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.5 p -101.17 42.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 40.97 41.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -71.06 136.25 48.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.97 89.42 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -92.95 114.76 27.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.365 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 m -86.94 -60.33 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.02 62.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.51 140.67 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 32.5 m-85 -49.34 -49.22 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 59' ' ' LEU . 63.7 m-85 -51.59 -37.39 49.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.34 -55.76 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -41.98 -39.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.695 ' O ' HD11 ' A' ' 31' ' ' LEU . 17.7 mt -79.56 -37.45 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.88 43.75 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 -176.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -93.41 163.1 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -72.95 101.53 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.54 16.9 4.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.59 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -64.66 170.06 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 p30 -49.67 -47.17 50.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.07 -59.53 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.777 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 3.7 t70 -48.86 -46.49 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.9 mt -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.42 -61.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -47.6 -54.45 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.15 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.1 t80 -55.45 -54.72 40.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ARG . 32.5 mtt-85 -50.76 -63.08 1.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.5 ttt-85 -34.46 -36.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.6 mt -76.01 -63.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -42.18 -52.9 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.1 mm? -52.95 -31.19 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.5 ttmm -86.41 -30.9 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -110.91 33.41 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.0 t-80 -84.92 140.66 37.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.722 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.74 -31.31 20.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.91 -32.76 57.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 12.3 mttp -91.3 -60.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.91 119.17 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -88.33 -28.1 21.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.2 144.13 35.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 179.83 3.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.49 -47.95 2.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.96 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 37' ' ' PRO . 88.7 m -59.66 -51.22 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -45.39 -33.77 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.65 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 19.8 t80 -48.05 -51.33 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -40.1 -42.32 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -50.0 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' CD1' ' A' ' 28' ' ' TYR . 6.7 mt -44.17 -69.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.15 -55.64 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 m -41.97 -38.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -75.03 -55.35 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -49.93 -44.38 50.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.86 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' THR . 73.0 t -49.76 -60.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.2 mt -67.21 -26.49 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -65.22 -38.06 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.42 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 2.3 t-20 -88.41 140.74 30.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.8 Cg_endo -69.74 -25.85 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -83.96 -39.64 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -80.42 -19.24 46.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -83.12 -48.9 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 12.8 ptmm? -54.34 -44.45 72.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 8.3 pt20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 45.9 t80 -75.53 -31.97 60.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.16 -39.38 41.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -71.05 -49.81 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -113.44 -67.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 68' ' ' TYR . . . 113.0 -145.76 18.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -134.0 156.27 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.1 172.8 19.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 98.87 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -61.71 146.47 49.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -134.88 140.12 45.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -100.39 98.27 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 p -91.9 138.86 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.72 136.22 31.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -56.66 119.37 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -173.3 153.49 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 91.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.79 139.44 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.9 m-85 -50.96 -54.57 23.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -48.18 -36.5 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -71.23 -57.32 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.7 mt -39.85 -42.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' O ' HD11 ' A' ' 31' ' ' LEU . 26.4 mt -81.32 -37.21 28.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.58 52.28 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -139.99 173.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -80.46 164.82 22.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -78.35 103.01 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.55 16.79 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.22 138.66 57.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -71.54 164.05 26.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.709 ' HA ' HD12 ' A' ' 24' ' ' LEU . 40.4 t0 -48.31 -51.33 26.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -46.55 -64.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -48.24 -60.84 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 21' ' ' ASP . 10.4 mt -38.84 -47.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.63 -65.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -38.94 -53.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -49.2 77.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.491 ' CD1' HG22 ' A' ' 52' ' ' ILE . 41.6 t80 -52.9 -51.56 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' O ' HD12 ' A' ' 33' ' ' LEU . 27.1 mtp180 -54.98 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.9 ttt180 -36.66 -36.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -79.06 -59.39 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.37 -51.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.83 -38.82 79.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 35' ' ' PHE . 7.4 tmtm? -75.63 -25.18 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CE1' ' HE3' ' A' ' 34' ' ' LYS . 72.5 m-85 -113.91 21.64 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.2 t-80 -80.21 140.76 53.19 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.699 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.4 Cg_endo -69.81 -26.86 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 -45.14 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HE3' HD23 ' A' ' 33' ' ' LEU . 53.1 mttm -75.4 -54.1 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.524 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -87.41 120.35 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' HIS . 48.7 t-80 -89.23 38.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.37 138.71 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.56 -29.48 60.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -73.87 -47.18 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 37' ' ' PRO . 11.2 m -69.61 -40.06 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.18 -19.52 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.12 -40.84 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HE1' ' HH ' ' A' ' 28' ' ' TYR . 12.7 t80 -46.75 -44.82 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.76 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.97 36.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.7 mt -49.93 -68.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.16 -42.94 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.1 m -54.71 -50.3 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 111.153 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.54 -61.88 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' ' CB ' ' A' ' 60' ' ' SER . 33.9 t80 -51.43 -39.38 57.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.8 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 54' ' ' THR . 98.9 t -79.94 -61.18 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.01 -46.75 89.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.5 t -45.24 -29.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -95.77 147.06 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.95 -62.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -47.41 -28.55 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.22 -39.84 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -49.83 -58.65 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -51.91 -34.73 42.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 37.5 t80 -70.69 -50.96 30.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.27 -30.65 66.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -84.34 -59.51 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' GLY . 60.6 m-85 -95.91 -60.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.534 ' HA3' ' CD1' ' A' ' 68' ' ' TYR . . . -35.32 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TYR . 27.0 p -66.1 81.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.7 83.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 73' ' ' SER . 53.4 Cg_endo -69.8 -27.61 26.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -86.66 150.93 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m 64.32 40.99 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -46.43 123.82 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -109.19 177.7 4.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.23 -154.85 23.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -88.35 -50.54 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t 66.07 43.94 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.03 -49.16 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.74 144.94 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 21.4 m-85 -44.99 -56.27 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 41.2 m-85 -47.72 -40.09 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.47 -56.51 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -40.07 -41.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.8 mt -78.33 -43.98 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.84 41.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG21 HD23 ' A' ' 24' ' ' LEU . 11.8 m -133.15 176.99 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -83.16 166.58 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 21.9 mtp180 -76.65 98.61 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.6 16.87 3.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.26 130.79 44.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 154.13 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 24' ' ' LEU . 37.7 m-20 -43.16 -39.11 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.93 -52.42 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.609 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.0 t0 -60.77 -55.99 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.8 mt -50.0 -33.64 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 54.5 tttt -67.18 -71.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -41.64 -54.91 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.81 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.6 t80 -49.99 -53.11 28.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' LEU . 74.1 mtt180 -57.84 -57.56 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ARG . 43.8 ttt85 -37.22 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ARG . 41.1 mt -86.86 -56.43 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.51 -46.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.31 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 44.9 tttt -76.72 -11.33 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 96.0 m-85 -125.41 17.08 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 t-80 -77.93 140.7 62.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.665 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.3 Cg_endo -69.84 -11.26 30.37 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.5 -62.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -54.23 -25.92 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -101.81 172.49 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -113.34 -46.49 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.96 140.54 77.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' GLY . 54.4 Cg_endo -69.75 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.345 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.05 -42.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -56.47 -50.49 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.665 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -57.3 -45.67 83.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -47.48 -20.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.03 -43.39 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -44.26 -45.15 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -55.27 -34.18 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.23 -42.36 26.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.3 mt -51.69 -70.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.24 -50.85 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -42.97 -51.18 5.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.84 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -47.19 -50.39 20.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.25 -56.56 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.4 t -50.93 -70.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 68' ' ' TYR . 38.2 mt -53.65 -61.73 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.2 t -34.5 -36.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 2.1 t-20 -88.88 141.23 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.6 Cg_endo -69.82 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -60.5 -59.84 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -54.89 -35.06 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -65.96 -40.07 90.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -50.85 -62.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.43 -34.55 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CE2' HD21 ' A' ' 59' ' ' LEU . 56.2 t80 -72.59 -28.77 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.27 -28.85 26.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.25 -53.42 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -110.99 -72.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.4 -120.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -116.48 93.4 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.921 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 44.99 -159.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 109.15 2.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.9 m -112.05 143.36 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 m -120.96 -42.78 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -47.88 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -120.02 132.67 55.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.39 79.1 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -174.84 128.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -65.16 -46.28 81.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 152.76 59.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -37.79 141.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' TYR . 26.0 m-85 -64.14 -60.67 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' CE1' HD13 ' A' ' 59' ' ' LEU . 45.5 m-85 -36.08 -41.37 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.71 -54.92 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -40.62 -42.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HD11 ' A' ' 31' ' ' LEU . 8.0 mt -83.89 -31.28 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.01 54.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.06 167.73 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -77.95 166.03 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 47.2 mtp180 -79.81 102.18 8.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.23 3.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.71 145.07 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -73.8 167.99 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HA ' HD12 ' A' ' 24' ' ' LEU . 42.8 m-20 -54.27 -42.29 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.01 -49.35 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -59.89 -53.5 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.7 mt -54.12 -45.44 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.19 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -41.18 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.41 77.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CD1' HG22 ' A' ' 52' ' ' ILE . 22.1 t80 -50.0 -49.36 50.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 71.8 mtt-85 -60.08 -67.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -38.78 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD11 ' O ' ' A' ' 13' ' ' LEU . 88.7 mt -84.52 -64.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.48 -41.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 39' ' ' LYS . 3.3 mp -66.76 -36.63 82.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 53.4 tttt -77.06 -10.27 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 52' ' ' ILE . 92.0 m-85 -118.41 -12.29 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.3 t-80 -56.31 140.67 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.71 -22.89 31.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.13 -37.24 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 33' ' ' LEU . 15.2 mtpp -81.35 -51.93 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.91 -57.69 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 63.73 40.16 7.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.58 146.56 52.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.2 34.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.39 -42.29 2.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.81 -53.67 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.6 m -54.54 -40.8 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.12 -23.37 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.48 -38.74 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -42.04 -44.22 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 9.3 ptmt -55.52 -45.32 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -64.06 -55.8 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 35' ' ' PHE . 1.9 mt -34.06 -54.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -52.9 -64.43 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLY . 24.9 m -35.89 -32.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.123 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -77.61 -56.57 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.8 -46.03 78.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.47 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 59' ' ' LEU . 20.0 t -77.41 -69.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 10' ' ' TYR . 14.1 mt -54.38 -48.45 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -41.95 -26.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 29.6 m-80 -101.69 142.78 25.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -35.93 11.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 15.7 pt-20 -73.68 -45.55 51.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 43.5 mttm -77.27 -15.56 59.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 55.4 ttt-85 -86.29 -63.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -51.44 -36.91 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -68.38 -33.88 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -74.2 -40.22 62.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -38.6 72.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -71.82 -66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.86 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.82 125.8 5.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 t -45.91 120.91 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.69 -73.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.03 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.0 m -130.98 158.29 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 m -110.14 85.8 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -62.27 162.03 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -41.86 117.34 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.83 67.52 0.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -84.03 90.51 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -54.12 160.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.36 65.39 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -41.94 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 26.0 m-85 -76.8 -48.63 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 77.2 m-85 -52.12 -40.8 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -63.31 -59.01 5.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 85.3 mt -38.73 -57.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD11 ' A' ' 31' ' ' LEU . 11.6 mt -67.49 -46.09 73.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.89 53.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.54 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 24' ' ' LEU . 34.8 m -144.05 174.53 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -85.62 173.48 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 6.5 mpt_? -82.67 102.0 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.66 15.36 4.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.53 147.71 51.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.9 p -80.51 169.82 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -62.27 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.57 -47.43 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.71 -59.4 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 15' ' ' VAL . 11.5 mt -47.92 -42.85 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -59.2 -65.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -41.29 -56.83 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.38 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE1' HG22 ' A' ' 52' ' ' ILE . 15.9 t80 -53.06 -53.34 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ARG . 79.4 mtt-85 -53.79 -63.04 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.1 ttt180 -34.35 -37.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.004 HD11 ' O ' ' A' ' 13' ' ' LEU . 29.3 mt -75.27 -65.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.88 -46.42 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.9 -35.74 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.3 tttm -81.35 -30.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 85.3 m-85 -109.65 31.55 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -86.18 140.57 34.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.67 -36.53 10.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -84.2 10.62 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -132.39 -63.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.43 ' OD1' ' CB ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -74.44 127.16 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -107.43 41.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.02 142.99 47.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 137.85 36.68 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.33 -41.5 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' CB ' ' OD1' ' A' ' 40' ' ' ASN . . . -54.04 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.2 m -53.79 -46.52 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -48.06 -38.6 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.81 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -40.78 -48.59 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -48.17 -48.61 34.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.08 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.7 mt -43.53 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -37.32 -54.23 1.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 57.2 m -37.56 -46.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -57.55 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -48.81 -47.25 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 -42.74 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 64' ' ' LYS . 84.2 t -65.77 -70.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ASN . 25.0 mt -53.88 -56.27 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.8 t -36.62 -34.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.4 m120 -90.3 141.97 28.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -41.25 4.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.82 -47.59 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HB3' HG13 ' A' ' 58' ' ' VAL . 43.8 mttm -71.99 -21.16 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.3 ttt180 -82.63 -41.93 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.1 pttp -64.28 -33.87 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 6.3 pt20 -72.68 -33.59 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 11.3 t80 -75.57 -49.72 17.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.6 -34.69 74.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -82.06 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -90.53 -50.01 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 68' ' ' TYR . . . -62.16 -124.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLY . 34.6 p -34.6 125.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -172.45 -154.42 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.0 m -76.63 48.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.0 m -64.57 116.39 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -125.08 -44.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -63.83 122.48 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.62 50.31 1.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -60.21 135.88 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -164.17 158.59 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.4 108.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.38 122.47 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.02 -49.44 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.97 -34.44 59.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -73.83 -47.76 36.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.7 -44.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' HD11 ' A' ' 31' ' ' LEU . 30.5 mt -78.46 -38.02 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 54.51 1.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.27 -179.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -88.48 158.03 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -71.09 99.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.92 16.85 3.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.24 134.55 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -66.23 166.1 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -47.75 -57.65 5.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -44.94 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.9 t70 -54.26 -55.92 23.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.4 mt -54.33 -36.6 63.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.83 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -45.08 -52.84 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -53.87 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.523 ' CD1' HG22 ' A' ' 52' ' ' ILE . 43.9 t80 -51.76 -44.85 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 33' ' ' LEU . 22.5 mtp180 -62.01 -61.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -40.45 -26.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.8 mt -90.36 -57.2 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.22 -49.7 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.41 -42.18 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 23.9 tttm -71.47 -21.23 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 98.0 m-85 -120.49 22.96 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.1 t-80 -81.27 140.66 49.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.5 Cg_endo -69.73 -7.05 20.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -111.37 -47.92 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' HD23 ' A' ' 33' ' ' LEU . 38.7 mttt -77.86 -28.32 50.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -112.32 107.09 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -94.48 48.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.85 141.63 41.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.701 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.46 40.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.66 -43.42 2.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.86 -50.05 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -60.27 -56.41 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -38.82 -35.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.51 67.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' THR . 15.4 t80 -43.03 -44.29 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' ALA . 10.5 ptmt -54.44 -39.77 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' LYS . . . -71.33 -34.71 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.0 mt -64.48 -60.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.63 -44.65 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.2 m -52.64 -50.86 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -58.91 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -47.49 -48.86 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.64 -51.81 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.25 -68.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 68' ' ' TYR . 59.4 mt -52.06 -61.71 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 80.4 p -37.9 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' LEU . 21.5 t-20 -95.0 140.07 22.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.433 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 53.7 Cg_endo -69.76 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 26.2 mm-40 -62.6 -59.36 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 61' ' ' ASN . 10.4 mtpt -51.18 -34.5 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -65.45 -43.98 88.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -47.8 -57.8 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 5.5 pt20 -56.28 -38.08 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.61 ' CE2' HD21 ' A' ' 59' ' ' LEU . 12.2 t80 -66.07 -35.86 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.98 -29.04 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.12 -63.63 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' GLY . 44.2 m-85 -91.51 -62.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' PHE . . . -35.74 -45.14 0.75 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.2 t -123.06 140.89 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.04 -96.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.68 59.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.7 t -54.38 115.56 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.1 p -130.81 158.07 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -151.7 124.62 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -145.75 142.62 29.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 -169.67 14.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -68.74 175.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -134.28 -45.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.3 -52.19 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.45 157.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -63.63 -53.03 57.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.0 m-85 -46.1 -42.63 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -65.44 -57.35 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -40.86 -39.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' HD11 ' A' ' 31' ' ' LEU . 28.2 mt -81.69 -41.73 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.53 44.09 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.1 m -137.2 174.47 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -84.28 168.56 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 41.2 mtt180 -80.53 101.14 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.7 16.89 3.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 140.0 57.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -70.98 162.88 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.4 m-20 -45.63 -48.21 14.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.64 -54.76 20.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.07 -57.72 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 21' ' ' ASP . 7.8 mt -49.47 -37.73 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -68.05 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -42.0 -55.4 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.49 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.5 t80 -52.48 -54.8 27.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.9 mtp180 -58.74 -58.8 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.4 ttm-85 -35.55 -31.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.684 HD11 ' O ' ' A' ' 13' ' ' LEU . 70.1 mt -83.21 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.46 -49.36 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.6 -34.72 67.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 35' ' ' PHE . 32.1 tttt -83.99 -27.21 28.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.678 ' HD1' ' HB1' ' A' ' 45' ' ' ALA . 42.1 m-85 -111.87 32.63 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -88.76 140.66 29.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.85 -14.04 35.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -94.46 -40.47 9.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -82.96 -51.58 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 14.2 t-20 -85.83 -44.1 12.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 40' ' ' ASN . 25.9 p80 43.96 38.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.72 152.43 65.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 146.32 59.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.384 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -54.32 3.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HB1' ' HD1' ' A' ' 35' ' ' PHE . . . -65.45 -61.28 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 37' ' ' PRO . 24.6 m -47.95 -64.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' THR . 25.9 mm-40 -34.96 -45.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -53.24 -45.8 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 46' ' ' THR . 7.8 t80 -41.77 -51.22 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -44.02 -46.79 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -53.02 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.6 mt -38.46 -64.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.85 -58.61 4.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.0 m -34.31 -41.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.55 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 76.0 t80 -47.34 -44.95 24.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.49 -46.29 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 64' ' ' LYS . 92.3 t -57.58 -71.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD12 HD22 ' A' ' 24' ' ' LEU . 30.7 mt -51.79 -51.53 55.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 t -46.69 -28.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 2.4 t-20 -96.08 140.29 22.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -29.31 24.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -78.33 -49.09 14.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.753 ' HB3' HG13 ' A' ' 58' ' ' VAL . 45.4 mttm -73.53 -20.9 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.1 ttt180 -85.24 -53.01 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -48.92 -36.53 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 7.2 pt20 -71.38 -34.53 70.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.7 t80 -73.88 -38.41 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -27.88 67.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -94.59 -59.45 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -105.72 52.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.4 -33.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -118.24 -41.7 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.85 -100.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.0 15.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.5 p -74.78 92.72 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m 51.28 51.19 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.534 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.674 ' CE2' ' CD1' ' A' ' 68' ' ' TYR . 16.5 m-85 -49.59 -63.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 17' ' ' ARG . 55.3 m-85 -42.79 -47.8 5.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.14 -55.26 30.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.91 -41.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' LEU . 16.4 mt -81.28 -40.18 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.34 50.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 -178.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 15.1 mmm-85 -73.44 101.83 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.32 16.08 3.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 139.24 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -71.46 179.79 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -60.3 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -41.16 -47.84 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.21 -52.49 65.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.537 HD22 HD12 ' A' ' 59' ' ' LEU . 23.2 mt -56.08 -43.7 78.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' LYS . 22.0 ttpp -62.05 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' LYS . 63.8 mttt -37.11 -58.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.51 -55.02 40.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -46.34 -47.47 18.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 14.3 mtp85 -60.67 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttt180 -36.85 -32.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 13' ' ' LEU . 90.2 mt -79.6 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.05 -51.07 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 29' ' ' ARG . 3.5 mm? -53.13 -33.48 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 28.2 tttt -82.57 -29.55 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 95.0 m-85 -109.13 26.17 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -83.43 140.59 41.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.594 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.76 -17.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.407 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 14.2 m-20 -89.58 -37.41 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -86.31 -49.06 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 9.7 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.538 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -71.22 -49.88 38.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.594 HG21 ' HB3' ' A' ' 37' ' ' PRO . 5.8 m -53.16 -52.1 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.47 -38.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -63.78 -47.52 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.8 t80 -35.81 -48.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -48.88 -49.12 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -62.84 -59.43 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.5 mt -36.46 -62.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -47.08 -59.57 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.5 m -36.68 -42.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.7 54.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.18 -53.81 54.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.16 -28.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 64' ' ' LYS . 98.9 t -79.96 -69.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.537 HD12 HD22 ' A' ' 24' ' ' LEU . 19.7 mt -51.03 -25.73 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 p -67.34 -32.49 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -91.52 145.02 30.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -36.72 10.43 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.35 -39.99 37.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.5 mtpp -74.18 -26.18 60.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -83.77 -62.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -47.36 -39.74 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.43 -32.69 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.674 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 88.7 t80 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 27.9 m-85 -73.6 -45.37 53.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 19.6 m-85 -46.9 -38.99 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.12 -53.73 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -43.6 -40.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 31' ' ' LEU . 94.2 mt -80.92 -46.4 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -142.94 173.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -77.37 167.75 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 11.8 mmm-85 -80.28 100.09 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.73 16.4 3.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.47 129.54 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 168.2 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.1 m-20 -46.46 -66.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.0 tt0 -36.07 -56.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -55.23 -49.44 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.5 mt -56.77 -59.53 4.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 25.6 ttmt -46.15 -56.08 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -46.42 -56.6 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.48 -56.84 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.613 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.9 t80 -46.86 -48.19 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.7 mtt180 -59.11 -66.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.3 ttt-85 -37.75 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 13' ' ' LEU . 91.8 mt -85.84 -61.69 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.79 -52.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 2.1 mm? -57.25 -35.59 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 1.5 tmtp? -81.25 -22.87 38.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 69.5 m-85 -114.66 20.12 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.7 t-80 -78.75 140.62 58.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.72 -32.56 18.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.29 -23.94 57.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -99.6 -63.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 17.1 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -42.92 -58.4 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.4 m -56.57 -52.84 63.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.47 -33.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.67 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' THR . 6.9 t80 -44.78 -47.18 10.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 1.5 ptmm? -47.99 -43.87 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -70.52 -51.19 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -42.65 -68.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.528 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -39.36 -50.32 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.9 m -46.79 -47.27 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.0 -54.79 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -53.08 -57.2 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.51 -38.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 78.3 t -71.93 -65.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' SER . 93.0 mt -58.36 -59.31 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' LEU . 23.9 p -37.5 -39.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -89.83 143.98 30.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.97 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' HG13 ' A' ' 58' ' ' VAL . 36.4 mttm -56.88 -35.07 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' TYR . 54.2 ttt180 -66.88 -46.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -38.08 -61.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.85 42.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ARG . 65.0 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 29.0 m-85 -65.89 -50.39 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 64.7 m-85 -52.18 -36.39 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.01 -56.31 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -41.7 -45.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.783 ' O ' HD11 ' A' ' 31' ' ' LEU . 19.8 mt -76.23 -47.52 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.96 52.28 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.44 177.45 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -89.21 159.3 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.573 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -70.95 102.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.59 15.58 3.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 135.5 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -70.34 164.43 24.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -45.31 -59.46 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' CE ' ' A' ' 26' ' ' LYS . 14.6 tt0 -43.22 -48.52 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.11 -61.81 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.82 -39.84 19.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -63.95 -66.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.424 ' CE ' ' HG2' ' A' ' 22' ' ' GLU . 37.7 mttm -44.42 -54.79 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.08 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 52' ' ' ILE . 19.4 t80 -51.95 -52.01 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.4 mtp180 -57.18 -60.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.5 ttt180 -34.54 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 13' ' ' LEU . 43.0 mt -81.89 -61.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.65 -50.29 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -79.53 -29.39 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.66 23.43 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 t-80 -75.65 140.66 71.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.8 Cg_endo -69.78 -11.13 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -102.42 -45.39 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -72.69 -50.2 26.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.501 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 12.5 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -88.9 -58.79 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.7 m -53.77 -50.3 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -41.45 -28.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.38 -40.58 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.5 t80 -47.96 -51.88 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -43.68 -44.54 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.58 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.556 HG22 ' CE1' ' A' ' 28' ' ' TYR . 4.3 mt -52.37 -68.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.74 -44.9 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 37.1 m -50.61 -49.64 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.317 . . . . 0.0 111.098 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -56.22 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' SER . 88.0 t80 -49.6 -46.0 48.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.82 -43.54 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 64' ' ' LYS . 95.1 t -61.0 -71.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 61' ' ' ASN . 28.2 mt -53.44 -53.27 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 48.4 t -38.37 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.1 t30 -100.62 141.21 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 54.4 Cg_endo -69.75 -34.82 13.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.11 -45.17 42.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 58' ' ' VAL . 25.9 mttm -76.31 -16.25 59.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.7 ttt-85 -88.78 -51.26 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 19.4 ptpt -53.54 -36.93 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 13.1 pt20 -71.6 -34.6 70.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.459 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.9 t80 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 68' ' ' TYR . 21.9 m-85 -50.26 -58.41 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -43.13 -46.76 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.94 -53.28 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -44.09 -30.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.51 -36.48 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.51 42.14 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.59 176.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 167.26 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -77.59 100.99 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.84 16.9 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.23 137.56 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p -67.16 162.43 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 m-20 -44.84 -58.3 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -45.23 -54.99 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.59 -45.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.9 mt -63.06 -32.13 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 44.5 tttm -70.5 -68.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -39.0 -57.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.34 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.4 t80 -53.61 -54.38 38.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.8 mtp180 -60.19 -57.87 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.9 ttm180 -34.52 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 54.2 mt -83.86 -60.51 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.18 -47.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -56.37 -39.22 72.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.1 tttp -74.75 -33.01 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -107.74 23.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -77.48 140.64 64.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 -26.33 27.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -86.38 -36.02 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 33' ' ' LEU . 4.5 mtpm? -79.42 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -36.85 -53.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -52.15 -54.42 30.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -39.29 -30.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.19 -44.74 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' THR . 13.2 t80 -45.69 -37.38 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -57.08 -47.91 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.91 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.2 mt -45.99 -70.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -38.47 -54.73 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 56.1 m -37.91 -43.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.658 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.5 t80 -49.17 -46.1 44.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.09 42.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.5 t -52.35 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 68' ' ' TYR . 32.8 mt -50.87 -56.09 13.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 47.6 t -37.62 -32.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.2 m120 -93.93 141.4 23.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.85 13.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.65 -39.15 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HB3' HG13 ' A' ' 58' ' ' VAL . 44.8 mttm -80.37 -15.08 57.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -86.93 -64.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.2 ptmm? -45.53 -42.84 11.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.656 ' CE2' HD21 ' A' ' 59' ' ' LEU . 14.2 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.699 ' CE2' HG11 ' A' ' 58' ' ' VAL . 28.0 m-85 -46.12 -54.03 9.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE1' HD13 ' A' ' 59' ' ' LEU . 30.7 m-85 -51.56 -43.75 62.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.08 -57.35 7.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -38.44 -42.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.81 -41.71 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.93 53.07 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.52 172.66 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -83.37 169.73 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 49.2 mtm180 -81.83 100.85 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.79 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.83 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t -71.74 171.58 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -47.57 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.29 -63.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -45.0 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.11 -36.84 75.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 25.5 ttpt -72.02 -70.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 39.6 mttm -36.94 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.46 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.067 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.2 t80 -53.44 -56.55 15.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 30.6 mtp180 -57.5 -57.81 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' ARG . 26.4 ttm180 -34.79 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 69.8 mt -84.63 -60.12 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -38.63 -51.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.2 mm? -53.12 -37.34 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.6 tttm -80.74 -28.65 36.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 96.0 m-85 -112.44 34.2 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.8 t-80 -88.61 140.72 29.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.72 -16.94 37.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -94.16 -30.7 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.48 -52.45 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -64.38 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 94.6 m -44.39 -61.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 16.5 mp0 -39.4 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.82 -43.12 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 9.9 t80 -40.73 -47.04 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -44.23 -52.08 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.25 88.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.44 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -49.95 -70.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.35 -51.17 2.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.5 m -43.27 -45.46 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.93 -58.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' CB ' ' A' ' 60' ' ' SER . 72.7 t80 -48.61 -45.72 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.62 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.699 HG11 ' CE2' ' A' ' 9' ' ' TYR . 87.9 t -65.3 -71.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 10' ' ' TYR . 29.9 mt -53.56 -52.39 59.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.6 t -39.17 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' LEU . 22.6 m-20 -99.42 143.95 27.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.96 5.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.18 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.9 mttt -69.22 -23.35 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 58.5 ttt180 -78.72 -49.72 12.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -63.07 -40.35 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 64' ' ' LYS . 1.6 pp0? -70.94 -35.94 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.863 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 30.7 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 23.8 m-85 -38.06 -57.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.2 m-85 -48.29 -36.66 14.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 5.2 mm-40 -75.87 -55.72 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -41.17 -42.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.827 ' O ' HD11 ' A' ' 31' ' ' LEU . 43.7 mt -78.99 -41.07 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.1 46.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.07 172.26 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -81.19 167.72 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 37.4 mtm180 -77.79 102.52 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 16.36 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.21 137.97 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 m -71.81 166.38 22.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 m-20 -50.94 -28.97 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.39 -58.87 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.659 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.7 t70 -56.71 -46.56 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.5 mt -57.7 -37.54 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -66.7 -67.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -45.32 -53.96 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.16 -55.9 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.571 ' HD1' HG22 ' A' ' 52' ' ' ILE . 13.2 t80 -46.45 -53.56 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.8 mtp180 -60.83 -59.75 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 29' ' ' ARG . 12.0 ttm180 -34.77 -32.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.6 mt -85.46 -58.54 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -40.75 -51.61 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -55.66 -36.21 66.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.0 ttmm -75.95 -33.38 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -108.35 24.51 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.1 t-80 -79.2 140.69 57.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.74 -21.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -94.92 -22.07 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -90.82 -54.57 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.76 -41.18 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 37' ' ' PRO . 2.0 m -58.09 -47.03 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -48.72 -26.72 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.8 -45.2 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -44.57 -40.68 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.09 -60.38 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.05 -39.5 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -56.37 -63.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.18 -45.43 3.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.2 m -50.09 -56.6 10.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -53.83 -61.69 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' SER . 90.4 t80 -47.44 -53.05 15.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.12 -41.3 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 64' ' ' LYS . 96.7 t -73.7 -66.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.755 HD21 ' CE2' ' A' ' 68' ' ' TYR . 76.8 mt -54.97 -59.86 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' LEU . 52.0 p -36.2 -34.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.3 t30 -91.17 141.35 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.4 Cg_endo -69.85 -44.99 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.88 -61.52 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 58' ' ' VAL . 67.4 mttt -55.69 -31.34 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.56 -41.07 72.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -46.61 -63.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -55.19 -37.22 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.755 ' CE2' HD21 ' A' ' 59' ' ' LEU . 74.0 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.6 m-85 -46.92 -58.53 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 77.8 m-85 -52.11 -38.8 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.29 -58.38 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.85 -44.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 31' ' ' LEU . 47.6 mt -77.57 -36.61 51.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.91 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.62 179.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -95.25 162.75 13.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.551 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 16.5 mtm105 -73.58 101.52 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.27 16.76 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.37 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 t -62.34 169.56 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -60.54 -53.06 62.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 7.4 pt-20 -54.64 -46.02 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 8.3 m-20 -57.01 -47.69 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.3 -43.83 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 2.7 ttmp? -65.97 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.8 mptp? -35.38 -60.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.19 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -49.6 -52.14 32.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' LEU . 17.6 mtp180 -56.47 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 22.9 ttt180 -37.23 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 13' ' ' LEU . 65.1 mt -84.53 -59.57 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.25 -49.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.11 -43.21 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 43.2 tttp -74.03 -16.1 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.616 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 76.5 m-85 -120.61 20.13 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 t-80 -83.59 140.65 41.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.77 -12.93 33.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -103.86 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -62.85 -19.79 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.592 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -39.95 -49.97 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -58.44 -53.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -42.53 -25.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -85.08 -45.44 12.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -42.76 -43.57 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -51.91 -45.15 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.33 -48.86 63.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.3 mt -47.76 -69.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.59 -45.68 1.02 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 58' ' ' VAL . 30.0 m -52.61 -52.4 55.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.26 -58.2 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 88.6 t80 -51.41 -38.86 55.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.73 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.775 HG13 ' HB3' ' A' ' 64' ' ' LYS . 94.2 t -73.56 -64.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.35 -41.77 80.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 66.1 p -50.22 -38.1 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -86.78 144.0 36.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.83 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.6 -49.06 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.2 mttt -68.85 -21.85 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -83.39 -61.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -49.81 -36.72 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 6.7 pt20 -69.94 -34.29 73.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 66.4 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.597 ' CE2' HG11 ' A' ' 58' ' ' VAL . 23.3 m-85 -44.18 -53.54 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.657 ' CE1' HD13 ' A' ' 59' ' ' LEU . 70.9 m-85 -53.91 -38.12 64.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.5 -40.48 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.62 -34.62 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 31' ' ' LEU . 27.1 mt -88.42 -30.98 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.02 46.17 3.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.2 m -140.32 175.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m -85.73 166.01 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 81.4 mtm180 -77.8 104.32 8.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.62 16.34 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 133.63 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.48 162.31 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.37 -61.18 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -44.92 -47.44 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.15 -52.28 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.21 -31.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -71.89 -56.21 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -45.77 -57.04 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.36 -53.21 60.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.478 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -48.09 -47.48 34.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.7 mtt180 -62.33 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ARG . 16.3 ttt-85 -37.31 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 13' ' ' LEU . 89.6 mt -86.25 -61.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.97 -43.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.39 -38.32 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.2 tttp -70.31 -24.2 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 90.2 m-85 -106.86 -10.29 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.6 t-80 -53.25 140.69 43.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.709 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.569 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.76 -43.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.745 2.296 . . . . 0.0 112.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.81 -38.34 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -82.75 -62.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.9 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -49.67 -50.98 41.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.46 -34.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . . . -73.16 -41.56 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 3.3 t80 -44.42 -36.14 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.41 68.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD1' ' A' ' 28' ' ' TYR . 2.3 mt -41.95 -59.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.78 -46.0 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.812 ' O ' HG23 ' A' ' 58' ' ' VAL . 89.9 m -52.21 -29.5 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.67 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 60' ' ' SER . 17.5 t80 -52.72 -41.16 63.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.5 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 54' ' ' THR . 97.6 t -80.92 -66.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 10' ' ' TYR . 37.1 mt -56.69 -40.66 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 38.4 t -50.56 -35.96 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.471 ' N ' HD22 ' A' ' 61' ' ' ASN . 1.6 m-80 -91.69 144.58 29.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.85 2.38 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 pt-20 -65.8 -46.25 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 68.3 mttt -74.66 -19.7 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.7 ttt-85 -84.51 -60.48 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 5.8 ptmm? -47.03 -47.15 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 1.2 pp0? -64.68 -35.49 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 44.3 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 23.8 m-85 -54.12 -66.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE1' HD13 ' A' ' 59' ' ' LEU . 72.5 m-85 -42.29 -34.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -73.38 -48.99 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -51.59 -37.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.755 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -84.69 -36.57 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.42 51.23 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG21 HD23 ' A' ' 24' ' ' LEU . 26.2 m -139.76 174.02 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -80.8 161.6 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.4 mpp_? -73.63 100.28 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.46 16.84 4.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.86 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -65.99 167.31 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -46.03 -62.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.34 -56.31 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 11.7 t0 -52.79 -56.5 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 mt -50.88 -35.12 31.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -69.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -39.27 -56.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 14.6 t80 -57.29 -56.55 20.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.6 mtt180 -57.12 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.2 ttm180 -37.0 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 13' ' ' LEU . 63.2 mt -89.14 -56.28 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.72 -46.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.4 -45.62 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 1.6 tmtp? -67.98 -23.64 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 60.9 m-85 -113.33 14.58 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.4 t-80 -75.11 140.69 73.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.684 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.74 -15.06 36.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.06 -15.57 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -98.0 -50.44 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.454 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 6.3 t-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -65.36 -41.32 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 37' ' ' PRO . 35.7 m -57.41 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -39.6 -30.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.79 -42.23 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.1 t80 -44.18 -47.26 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -52.69 -33.28 46.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.79 -35.2 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 35' ' ' PHE . 4.4 mt -63.04 -64.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -39.05 -35.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.3 m -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -68.6 -53.48 22.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.2 t80 -52.05 -52.89 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.01 -50.83 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.624 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.3 t -52.93 -63.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.542 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.6 mt -66.14 -16.88 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' TYR . 1.3 t -75.24 -29.31 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 17.8 m-80 -95.28 143.2 25.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.32 36.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.16 -47.84 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 58' ' ' VAL . 87.8 mttt -76.4 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.7 ttt180 -91.12 -60.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.65 -40.0 62.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -65.86 -36.17 82.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 42.3 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.562 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 19.3 m-85 -55.24 -61.8 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -43.41 -40.5 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.35 -50.58 30.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -45.68 -22.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.667 ' O ' HD11 ' A' ' 31' ' ' LEU . 10.4 mt -107.61 -22.56 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.28 59.75 2.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.23 179.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 m -93.06 158.78 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -71.74 103.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.08 15.65 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.43 132.55 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -64.94 -177.94 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.95 -28.46 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 9.9 pt-20 -72.07 -51.39 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.864 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.7 t0 -57.32 -43.51 83.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.55 -36.79 85.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -68.11 -70.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.5 mttm -36.82 -56.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.52 85.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 16.2 t80 -52.9 -47.75 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 42.8 mtm180 -61.78 -68.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' ARG . 11.9 ttt180 -35.04 -34.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.667 HD11 ' O ' ' A' ' 13' ' ' LEU . 82.8 mt -81.56 -57.77 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -42.22 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HE2' ' A' ' 39' ' ' LYS . 5.2 mp -72.09 -30.29 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.1 tttm -70.49 -24.59 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 52' ' ' ILE . 90.6 m-85 -107.03 -24.31 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 7.0 t-80 -40.03 140.48 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.72 -22.05 32.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.29 -33.7 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HE2' HD23 ' A' ' 33' ' ' LEU . 10.1 mptt -89.13 -52.84 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -38.32 -50.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 37' ' ' PRO . 32.3 m -58.28 -55.25 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -45.8 -21.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -80.84 -37.16 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 2.8 t80 -45.06 -34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -66.36 -35.52 80.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.74 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.588 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.5 mt -58.2 -64.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.06 -45.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.3 m -54.44 -48.37 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.67 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 58.0 t80 -53.48 -38.26 63.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.27 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.67 -59.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 68' ' ' TYR . 70.5 mt -62.24 -57.84 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.9 t -42.9 -29.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -85.34 144.03 40.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.14 -60.23 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -48.24 -32.74 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -74.84 -40.8 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -49.5 -62.22 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -54.23 -44.22 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.586 ' CE2' HD21 ' A' ' 59' ' ' LEU . 54.6 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' TYR . 16.8 m-85 -48.5 -66.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' TYR . 38.0 m-85 -37.9 -39.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -73.58 -48.01 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -47.91 -33.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 28' ' ' TYR . 71.2 mt -94.16 -36.85 11.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.06 58.34 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.57 172.76 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -85.21 162.45 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 101.69 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.23 15.16 3.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.54 134.59 51.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -62.87 172.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.673 ' HA ' HD12 ' A' ' 24' ' ' LEU . 30.9 m-20 -53.35 -49.43 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -48.86 -62.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 7.1 t0 -47.31 -53.62 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.1 mt -52.17 -39.16 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 35.0 ttpt -70.28 -64.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 23' ' ' ASP . 6.8 mtmp? -39.12 -57.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.3 t80 -52.13 -52.54 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 32.2 mtt-85 -65.17 -61.08 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttm180 -36.05 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 96.1 mt -82.87 -60.65 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -47.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.59 -41.01 89.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LEU . 26.3 tttt -71.35 -29.6 65.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.37 10.14 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -71.18 140.63 85.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.3 Cg_endo -69.78 -34.49 14.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -43.13 67.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.13 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -35.4 -50.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.35 -49.39 77.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -46.12 -22.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . -85.63 -44.4 12.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 5.1 t80 -38.91 -37.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -63.23 -46.08 88.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -63.6 -51.98 62.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.492 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -36.65 -60.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -45.02 -62.18 3.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' GLY . 25.4 m -34.15 -50.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -57.04 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 93.6 t80 -55.17 -56.77 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.4 -30.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.31 -71.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CB ' HD22 ' A' ' 24' ' ' LEU . 18.3 mt -48.06 -53.54 16.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -42.84 -27.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 43.7 m-20 -92.43 144.1 28.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -39.83 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.71 -55.1 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -19.21 54.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 62.5 ttt180 -83.84 -55.07 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 6.0 ptpp? -59.72 -35.68 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 1.8 pp0? -71.14 -32.56 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 58' ' ' VAL . 21.5 m-85 -50.64 -48.67 58.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 59' ' ' LEU . 23.4 m-85 -52.64 -38.99 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.85 -51.22 23.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.9 mt -44.31 -37.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.9 mt -89.35 -35.78 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 55.23 1.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.86 175.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 m -85.43 164.93 17.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 1.8 mpp_? -76.55 100.17 5.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 16.69 3.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.85 129.8 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -62.92 170.94 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 -47.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -37.45 -59.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.601 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.5 t0 -47.95 -52.84 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.4 mt -58.35 -40.2 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -66.43 -69.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -38.68 -56.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.85 76.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -50.73 -50.95 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.9 mtm180 -57.51 -68.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.7 ttt180 -34.52 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.1 mt -81.41 -57.68 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -46.26 -47.56 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.5 -27.03 68.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 11.1 ttmm -77.08 -35.77 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 52' ' ' ILE . 99.2 m-85 -98.24 -10.12 24.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 t-80 -47.55 140.77 7.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.81 -27.86 25.72 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.18 -38.36 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -84.37 -36.47 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.578 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 28.3 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -72.38 -57.36 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -53.07 -40.87 64.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.03 -23.71 21.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.26 -44.49 13.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -39.79 -39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.13 -52.05 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.06 83.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.6 mt -39.39 -61.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -50.03 -58.19 8.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.439 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 58' ' ' VAL . 86.3 m -35.86 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.153 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -83.18 -53.78 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 60' ' ' SER . 84.3 t80 -54.41 -41.63 69.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.04 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 9' ' ' TYR . 76.8 t -66.55 -67.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 10' ' ' TYR . 38.3 mt -59.11 -46.76 87.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.9 t -46.7 -33.38 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 87.0 m-20 -94.89 140.26 22.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.81 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.2 -46.13 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -78.59 -17.95 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 65.4 ttt-85 -86.36 -53.71 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -46.42 -52.42 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 13.2 pt20 -58.11 -42.56 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 2.9 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.739 ' CE2' HG21 ' A' ' 58' ' ' VAL . 23.5 m-85 -51.2 -56.23 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -41.94 -38.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -73.52 -53.93 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.04 -38.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.6 mt -85.84 -40.58 15.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.99 55.17 1.07 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -142.03 173.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -83.37 167.11 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.52 101.19 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.22 16.84 4.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.56 133.93 50.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -65.44 160.57 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.14 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -41.65 -59.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.54 14.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.88 -36.11 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -63.27 -65.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -45.67 -54.38 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.24 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.0 t80 -56.68 -57.78 10.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.4 mtp85 -57.11 -58.05 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.6 ttm180 -34.6 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 ' O ' ' A' ' 13' ' ' LEU . 38.8 mt -84.1 -61.13 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.02 -49.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.97 -34.95 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.543 ' HD3' ' CZ ' ' A' ' 35' ' ' PHE . 15.4 tttp -81.45 -28.3 34.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CZ ' ' HD3' ' A' ' 34' ' ' LYS . 70.1 m-85 -114.85 30.27 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.6 t-80 -76.9 140.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.2 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.65 -34.29 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 36' ' ' HIS . 1.7 ttmm -77.07 -68.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.536 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -66.76 -61.23 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.087 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -52.55 -49.02 65.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -43.07 -26.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.01 -38.85 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.84 -44.33 66.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -49.73 -48.07 50.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.52 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -50.96 -64.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -38.27 -53.66 2.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.8 m -47.75 -43.66 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.92 -58.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -48.62 -44.65 37.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.86 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 9' ' ' TYR . 88.2 t -60.61 -70.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.2 -53.49 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.4 t -46.44 -27.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 93.8 m-20 -93.84 146.82 32.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.99 -60.12 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -51.55 -30.27 20.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.9 ttt-85 -81.01 -41.87 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -47.66 -62.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.97 -39.26 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 24.3 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 32.5 m-85 -49.34 -49.22 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 59' ' ' LEU . 63.7 m-85 -51.59 -37.39 49.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.34 -55.76 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -41.98 -39.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.695 ' O ' HD11 ' A' ' 31' ' ' LEU . 17.7 mt -79.56 -37.45 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.88 43.75 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 -176.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -93.41 163.1 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -72.95 101.53 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.54 16.9 4.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.59 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -64.66 170.06 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 p30 -49.67 -47.17 50.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.07 -59.53 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.777 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 3.7 t70 -48.86 -46.49 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.9 mt -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.42 -61.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -47.6 -54.45 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.15 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.1 t80 -55.45 -54.72 40.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ARG . 32.5 mtt-85 -50.76 -63.08 1.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.5 ttt-85 -34.46 -36.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.6 mt -76.01 -63.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -42.18 -52.9 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.1 mm? -52.95 -31.19 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.5 ttmm -86.41 -30.9 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -110.91 33.41 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.0 t-80 -84.92 140.66 37.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.722 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.74 -31.31 20.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.91 -32.76 57.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 12.3 mttp -91.3 -60.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.96 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 37' ' ' PRO . 88.7 m -59.66 -51.22 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -45.39 -33.77 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.65 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 19.8 t80 -48.05 -51.33 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -40.1 -42.32 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -50.0 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' CD1' ' A' ' 28' ' ' TYR . 6.7 mt -44.17 -69.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.15 -55.64 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 m -41.97 -38.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -75.03 -55.35 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -49.93 -44.38 50.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.86 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' THR . 73.0 t -49.76 -60.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.2 mt -67.21 -26.49 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -65.22 -38.06 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.42 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.8 t30 -88.41 140.74 30.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.8 Cg_endo -69.74 -25.85 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -83.96 -39.64 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -80.42 -19.24 46.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -83.12 -48.9 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 12.8 ptmm? -54.34 -44.45 72.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 8.3 pt20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 45.9 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.9 m-85 -50.96 -54.57 23.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -48.18 -36.5 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -71.23 -57.32 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.7 mt -39.85 -42.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' O ' HD11 ' A' ' 31' ' ' LEU . 26.4 mt -81.32 -37.21 28.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.58 52.28 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -139.99 173.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -80.46 164.82 22.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -78.35 103.01 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.55 16.79 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.22 138.66 57.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -71.54 164.05 26.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.709 ' HA ' HD12 ' A' ' 24' ' ' LEU . 40.4 t0 -48.31 -51.33 26.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -46.55 -64.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -48.24 -60.84 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 21' ' ' ASP . 10.4 mt -38.84 -47.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.63 -65.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -38.94 -53.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -49.2 77.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.491 ' CD1' HG22 ' A' ' 52' ' ' ILE . 41.6 t80 -52.9 -51.56 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.507 ' O ' HD12 ' A' ' 33' ' ' LEU . 27.1 mtp180 -54.98 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.9 ttt180 -36.66 -36.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -79.06 -59.39 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.37 -51.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.83 -38.82 79.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 35' ' ' PHE . 7.4 tmtm? -75.63 -25.18 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CE1' ' HE3' ' A' ' 34' ' ' LYS . 72.5 m-85 -113.91 21.64 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.2 t-80 -80.21 140.76 53.19 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.699 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.4 Cg_endo -69.81 -26.86 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 -45.14 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HE3' HD23 ' A' ' 33' ' ' LEU . 53.1 mttm -75.4 -54.1 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.524 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -73.87 -47.18 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 37' ' ' PRO . 11.2 m -69.61 -40.06 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.18 -19.52 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.12 -40.84 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HE1' ' HH ' ' A' ' 28' ' ' TYR . 12.7 t80 -46.75 -44.82 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.76 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.97 36.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.7 mt -49.93 -68.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.16 -42.94 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.1 m -54.71 -50.3 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 111.153 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.54 -61.88 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' ' CB ' ' A' ' 60' ' ' SER . 33.9 t80 -51.43 -39.38 57.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.8 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 54' ' ' THR . 98.9 t -79.94 -61.18 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.01 -46.75 89.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.5 t -45.24 -29.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -95.77 147.06 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.95 -62.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -47.41 -28.55 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.22 -39.84 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -49.83 -58.65 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -51.91 -34.73 42.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 37.5 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.492 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 21.4 m-85 -44.99 -56.27 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 41.2 m-85 -47.72 -40.09 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.47 -56.51 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -40.07 -41.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.8 mt -78.33 -43.98 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.84 41.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG21 HD23 ' A' ' 24' ' ' LEU . 11.8 m -133.15 176.99 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -83.16 166.58 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 21.9 mtp180 -76.65 98.61 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.6 16.87 3.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.26 130.79 44.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 154.13 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 24' ' ' LEU . 37.7 m-20 -43.16 -39.11 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.93 -52.42 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.609 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.0 t0 -60.77 -55.99 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.8 mt -50.0 -33.64 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 54.5 tttt -67.18 -71.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -41.64 -54.91 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.81 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.6 t80 -49.99 -53.11 28.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' LEU . 74.1 mtt180 -57.84 -57.56 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ARG . 43.8 ttt85 -37.22 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ARG . 41.1 mt -86.86 -56.43 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.51 -46.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.31 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 44.9 tttt -76.72 -11.33 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 96.0 m-85 -125.41 17.08 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 t-80 -77.93 140.7 62.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.665 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.3 Cg_endo -69.84 -11.26 30.37 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.5 -62.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -54.23 -25.92 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -56.47 -50.49 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.665 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -57.3 -45.67 83.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -47.48 -20.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.03 -43.39 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -44.26 -45.15 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -55.27 -34.18 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.23 -42.36 26.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.3 mt -51.69 -70.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.24 -50.85 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -42.97 -51.18 5.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.84 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -47.19 -50.39 20.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.25 -56.56 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.4 t -50.93 -70.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 68' ' ' TYR . 38.2 mt -53.65 -61.73 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.2 t -34.5 -36.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.0 t30 -88.88 141.23 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.6 Cg_endo -69.82 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -60.5 -59.84 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -54.89 -35.06 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -65.96 -40.07 90.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -50.85 -62.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.43 -34.55 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CE2' HD21 ' A' ' 59' ' ' LEU . 56.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' TYR . 26.0 m-85 -64.14 -60.67 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' CE1' HD13 ' A' ' 59' ' ' LEU . 45.5 m-85 -36.08 -41.37 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.71 -54.92 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -40.62 -42.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HD11 ' A' ' 31' ' ' LEU . 8.0 mt -83.89 -31.28 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.01 54.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.06 167.73 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -77.95 166.03 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 47.2 mtp180 -79.81 102.18 8.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.23 3.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.71 145.07 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -73.8 167.99 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HA ' HD12 ' A' ' 24' ' ' LEU . 42.8 m-20 -54.27 -42.29 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.01 -49.35 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -59.89 -53.5 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.7 mt -54.12 -45.44 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.19 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -41.18 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.41 77.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CD1' HG22 ' A' ' 52' ' ' ILE . 22.1 t80 -50.0 -49.36 50.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 71.8 mtt-85 -60.08 -67.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -38.78 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD11 ' O ' ' A' ' 13' ' ' LEU . 88.7 mt -84.52 -64.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.48 -41.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 39' ' ' LYS . 3.3 mp -66.76 -36.63 82.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 53.4 tttt -77.06 -10.27 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 52' ' ' ILE . 92.0 m-85 -118.41 -12.29 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.3 t-80 -56.31 140.67 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.71 -22.89 31.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.13 -37.24 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 33' ' ' LEU . 15.2 mtpp -81.35 -51.93 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.81 -53.67 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.6 m -54.54 -40.8 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.12 -23.37 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.48 -38.74 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -42.04 -44.22 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 9.3 ptmt -55.52 -45.32 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -64.06 -55.8 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 35' ' ' PHE . 1.9 mt -34.06 -54.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -52.9 -64.43 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLY . 24.9 m -35.89 -32.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.123 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -77.61 -56.57 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.8 -46.03 78.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.47 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 59' ' ' LEU . 20.0 t -77.41 -69.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 10' ' ' TYR . 14.1 mt -54.38 -48.45 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -41.95 -26.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 29.6 m-80 -101.69 142.78 25.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -35.93 11.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 15.7 pt-20 -73.68 -45.55 51.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 43.5 mttm -77.27 -15.56 59.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 55.4 ttt-85 -86.29 -63.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -51.44 -36.91 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -68.38 -33.88 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.853 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 26.0 m-85 -76.8 -48.63 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 77.2 m-85 -52.12 -40.8 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -63.31 -59.01 5.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 85.3 mt -38.73 -57.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD11 ' A' ' 31' ' ' LEU . 11.6 mt -67.49 -46.09 73.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.89 53.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.54 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 24' ' ' LEU . 34.8 m -144.05 174.53 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -85.62 173.48 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 6.5 mpt_? -82.67 102.0 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.66 15.36 4.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.53 147.71 51.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.9 p -80.51 169.82 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -62.27 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.57 -47.43 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.71 -59.4 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 15' ' ' VAL . 11.5 mt -47.92 -42.85 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -59.2 -65.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -41.29 -56.83 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.38 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE1' HG22 ' A' ' 52' ' ' ILE . 15.9 t80 -53.06 -53.34 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ARG . 79.4 mtt-85 -53.79 -63.04 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.1 ttt180 -34.35 -37.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.004 HD11 ' O ' ' A' ' 13' ' ' LEU . 29.3 mt -75.27 -65.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.88 -46.42 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.9 -35.74 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.3 tttm -81.35 -30.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 85.3 m-85 -109.65 31.55 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -86.18 140.57 34.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.67 -36.53 10.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -84.2 10.62 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -132.39 -63.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.576 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 21.7 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.576 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -54.04 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.2 m -53.79 -46.52 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -48.06 -38.6 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.81 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -40.78 -48.59 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -48.17 -48.61 34.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.08 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.7 mt -43.53 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -37.32 -54.23 1.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 57.2 m -37.56 -46.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -57.55 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -48.81 -47.25 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 -42.74 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 64' ' ' LYS . 84.2 t -65.77 -70.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ASN . 25.0 mt -53.88 -56.27 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.8 t -36.62 -34.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.4 m120 -90.3 141.97 28.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -41.25 4.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.82 -47.59 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HB3' HG13 ' A' ' 58' ' ' VAL . 43.8 mttm -71.99 -21.16 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.3 ttt180 -82.63 -41.93 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.1 pttp -64.28 -33.87 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 6.3 pt20 -72.68 -33.59 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 11.3 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.02 -49.44 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.97 -34.44 59.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -73.83 -47.76 36.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.7 -44.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' HD11 ' A' ' 31' ' ' LEU . 30.5 mt -78.46 -38.02 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 54.51 1.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.27 -179.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -88.48 158.03 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -71.09 99.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.92 16.85 3.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.24 134.55 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -66.23 166.1 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -47.75 -57.65 5.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -44.94 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.9 t70 -54.26 -55.92 23.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.4 mt -54.33 -36.6 63.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.83 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -45.08 -52.84 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -53.87 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.523 ' CD1' HG22 ' A' ' 52' ' ' ILE . 43.9 t80 -51.76 -44.85 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 33' ' ' LEU . 22.5 mtp180 -62.01 -61.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -40.45 -26.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.8 mt -90.36 -57.2 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.22 -49.7 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.41 -42.18 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 23.9 tttm -71.47 -21.23 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 98.0 m-85 -120.49 22.96 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.1 t-80 -81.27 140.66 49.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.5 Cg_endo -69.73 -7.05 20.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -111.37 -47.92 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' HD23 ' A' ' 33' ' ' LEU . 38.7 mttt -77.86 -28.32 50.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.503 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 5.3 t30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.503 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -49.86 -50.05 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -60.27 -56.41 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -38.82 -35.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.51 67.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' THR . 15.4 t80 -43.03 -44.29 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' ALA . 10.5 ptmt -54.44 -39.77 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' LYS . . . -71.33 -34.71 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.0 mt -64.48 -60.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.63 -44.65 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.2 m -52.64 -50.86 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -58.91 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -47.49 -48.86 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.64 -51.81 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.25 -68.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 68' ' ' TYR . 59.4 mt -52.06 -61.71 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 80.4 p -37.9 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' LEU . 21.5 t-20 -95.0 140.07 22.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.433 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 53.7 Cg_endo -69.76 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 26.2 mm-40 -62.6 -59.36 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 61' ' ' ASN . 10.4 mtpt -51.18 -34.5 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -65.45 -43.98 88.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -47.8 -57.8 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 5.5 pt20 -56.28 -38.08 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.61 ' CE2' HD21 ' A' ' 59' ' ' LEU . 12.2 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -63.63 -53.03 57.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.0 m-85 -46.1 -42.63 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -65.44 -57.35 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -40.86 -39.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' HD11 ' A' ' 31' ' ' LEU . 28.2 mt -81.69 -41.73 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.53 44.09 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.1 m -137.2 174.47 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -84.28 168.56 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 41.2 mtt180 -80.53 101.14 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.7 16.89 3.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 140.0 57.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -70.98 162.88 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.4 m-20 -45.63 -48.21 14.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.64 -54.76 20.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.07 -57.72 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 21' ' ' ASP . 7.8 mt -49.47 -37.73 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -68.05 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -42.0 -55.4 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.49 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.5 t80 -52.48 -54.8 27.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.9 mtp180 -58.74 -58.8 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.4 ttm-85 -35.55 -31.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.684 HD11 ' O ' ' A' ' 13' ' ' LEU . 70.1 mt -83.21 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.46 -49.36 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.6 -34.72 67.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 35' ' ' PHE . 32.1 tttt -83.99 -27.21 28.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.678 ' HD1' ' HB1' ' A' ' 45' ' ' ALA . 42.1 m-85 -111.87 32.63 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -88.76 140.66 29.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.85 -14.04 35.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -94.46 -40.47 9.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -82.96 -51.58 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HB1' ' HD1' ' A' ' 35' ' ' PHE . . . -65.45 -61.28 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 37' ' ' PRO . 24.6 m -47.95 -64.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' THR . 25.9 mm-40 -34.96 -45.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -53.24 -45.8 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 46' ' ' THR . 7.8 t80 -41.77 -51.22 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -44.02 -46.79 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -53.02 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.6 mt -38.46 -64.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.85 -58.61 4.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.0 m -34.31 -41.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.55 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 76.0 t80 -47.34 -44.95 24.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.49 -46.29 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 64' ' ' LYS . 92.3 t -57.58 -71.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD12 HD22 ' A' ' 24' ' ' LEU . 30.7 mt -51.79 -51.53 55.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 t -46.69 -28.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 6.4 t30 -96.08 140.29 22.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -29.31 24.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 6.2 mp0 -78.33 -49.09 14.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.753 ' HB3' HG13 ' A' ' 58' ' ' VAL . 45.4 mttm -73.53 -20.9 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.1 ttt180 -85.24 -53.01 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -48.92 -36.53 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 7.2 pt20 -71.38 -34.53 70.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.7 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.4 m -132.67 150.48 52.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -40.1 151.03 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -91.91 -134.03 6.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 47.9 t 37.61 43.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -107.8 -56.06 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.45 97.34 1.95 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -120.54 140.52 51.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.674 ' CE2' ' CD1' ' A' ' 68' ' ' TYR . 16.5 m-85 -49.59 -63.09 1.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 17' ' ' ARG . 55.3 m-85 -42.79 -47.8 5.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -62.14 -55.26 30.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -40.91 -41.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' LEU . 16.4 mt -81.28 -40.18 24.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.34 50.93 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.37 -178.61 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.153 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.4 m -91.49 162.61 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.572 ' HD2' ' CE2' ' A' ' 10' ' ' TYR . 15.1 mmm-85 -73.44 101.83 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.32 16.08 3.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.3 139.24 57.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.076 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 p -71.46 179.79 2.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -60.3 -63.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -41.16 -47.84 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.21 -52.49 65.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.537 HD22 HD12 ' A' ' 59' ' ' LEU . 23.2 mt -56.08 -43.7 78.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' LYS . 22.0 ttpp -62.05 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' LYS . 63.8 mttt -37.11 -58.77 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.51 -55.02 40.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -46.34 -47.47 18.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' O ' HD23 ' A' ' 33' ' ' LEU . 14.3 mtp85 -60.67 -65.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttt180 -36.85 -32.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 13' ' ' LEU . 90.2 mt -79.6 -62.84 1.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.05 -51.07 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 29' ' ' ARG . 3.5 mm? -53.13 -33.48 52.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 28.2 tttt -82.57 -29.55 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 95.0 m-85 -109.13 26.17 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -83.43 140.59 41.79 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.59 0.71 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.594 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.76 -17.67 37.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.24 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 14.2 m-20 -89.58 -37.41 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.836 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mttm -86.31 -49.06 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.538 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 9.7 t-20 -72.37 153.1 41.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -101.45 -36.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.89 144.13 31.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.63 0.728 . . . . 0.0 111.064 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 44' ' ' GLY . 53.6 Cg_endo -69.81 -45.49 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.254 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.43 -42.97 0.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.538 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -71.22 -49.88 38.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.594 HG21 ' HB3' ' A' ' 37' ' ' PRO . 5.8 m -53.16 -52.1 59.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.124 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -40.47 -38.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' PHE . . . -63.78 -47.52 80.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.8 t80 -35.81 -48.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -48.88 -49.12 41.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -62.84 -59.43 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 51' ' ' ALA . 2.5 mt -36.46 -62.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -47.08 -59.57 5.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.5 m -36.68 -42.57 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.7 54.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.18 -53.81 54.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.16 -28.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG13 ' HB3' ' A' ' 64' ' ' LYS . 98.9 t -79.96 -69.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.537 HD12 HD22 ' A' ' 24' ' ' LEU . 19.7 mt -51.03 -25.73 5.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.5 p -67.34 -32.49 73.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.814 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -91.52 145.02 30.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -36.72 10.43 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.37 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.35 -39.99 37.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HB3' HG13 ' A' ' 58' ' ' VAL . 11.5 mtpp -74.18 -26.18 60.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -83.77 -62.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -47.36 -39.74 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.43 -32.69 70.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.674 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 88.7 t80 -75.12 -35.54 61.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.4 -41.92 54.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -65.73 -59.33 4.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -104.62 -66.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' SER . . . 112.37 163.23 16.43 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.3 p -35.6 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.814 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.15 -161.75 20.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.1 t -47.36 125.82 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.7 m -117.4 161.38 19.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -93.46 111.38 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 t -76.0 -55.97 5.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.3 94.93 0.65 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -47.05 -41.93 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.812 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -72.68 164.5 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . -129.93 48.19 0.98 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -36.52 149.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 27.9 m-85 -73.6 -45.37 53.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD2' ' A' ' 17' ' ' ARG . 19.6 m-85 -46.9 -38.99 11.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -68.12 -53.73 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -43.6 -40.85 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 31' ' ' LEU . 94.2 mt -80.92 -46.4 15.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.13 54.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -142.94 173.38 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.9 m -77.37 167.75 21.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 11.8 mmm-85 -80.28 100.09 8.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.73 16.4 3.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.47 129.54 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 168.2 11.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.1 m-20 -46.46 -66.97 0.32 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ASP . 12.0 tt0 -36.07 -56.74 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -55.23 -49.44 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.5 mt -56.77 -59.53 4.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 25.6 ttmt -46.15 -56.08 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -46.42 -56.6 5.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.48 -56.84 16.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.613 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.9 t80 -46.86 -48.19 21.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.7 mtt180 -59.11 -66.05 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.3 ttt-85 -37.75 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 13' ' ' LEU . 91.8 mt -85.84 -61.69 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.79 -52.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 2.1 mm? -57.25 -35.59 69.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.573 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 1.5 tmtp? -81.25 -22.87 38.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 69.5 m-85 -114.66 20.12 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 3.7 t-80 -78.75 140.62 58.97 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.562 0.696 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.72 -32.56 18.51 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.63 2.22 . . . . 0.0 112.382 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.29 -23.94 57.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -99.6 -63.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 17.1 t-20 -73.36 104.42 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -89.43 37.21 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.85 144.14 47.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.561 0.695 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 141.42 45.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.59 -61.5 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -42.92 -58.4 2.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 111.088 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.707 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.4 m -56.57 -52.84 63.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -40.47 -33.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.68 -41.67 68.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' THR . 6.9 t80 -44.78 -47.18 10.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 1.5 ptmm? -47.99 -43.87 30.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -70.52 -51.19 30.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -42.65 -68.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.528 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -39.36 -50.32 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.9 m -46.79 -47.27 20.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.0 -54.79 32.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -53.08 -57.2 11.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.51 -38.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 78.3 t -71.93 -65.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 60' ' ' SER . 93.0 mt -58.36 -59.31 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 59' ' ' LEU . 23.9 p -37.5 -39.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -89.83 143.98 30.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.232 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.97 -60.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' HG13 ' A' ' 58' ' ' VAL . 36.4 mttm -56.88 -35.07 68.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 68' ' ' TYR . 54.2 ttt180 -66.88 -46.08 76.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -38.08 -61.56 0.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.17 -33.85 42.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 65' ' ' ARG . 65.0 t80 -71.64 -43.72 65.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.24 -35.16 75.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -69.43 -60.22 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -104.15 -69.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' SER . . . 123.39 105.97 1.76 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.462 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' GLY . 1.8 m 35.62 43.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.843 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.49 146.2 21.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 151.02 69.16 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.722 2.281 . . . . 0.0 112.34 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 p -55.29 -44.74 75.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.8 t -122.52 86.78 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.453 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -136.8 164.51 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.92 0.391 . . . . 0.0 110.852 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -102.03 42.04 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.49 -101.98 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t 46.61 42.85 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.895 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -84.23 -47.79 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.13 42.38 2.42 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.06 151.06 7.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.459 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 29.0 m-85 -65.89 -50.39 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 64.7 m-85 -52.18 -36.39 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -67.01 -56.31 10.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -41.7 -45.31 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.783 ' O ' HD11 ' A' ' 31' ' ' LEU . 19.8 mt -76.23 -47.52 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.96 52.28 0.65 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -142.44 177.45 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 111.116 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -89.21 159.3 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.573 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -70.95 102.2 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.59 15.58 3.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 135.5 53.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 t -70.34 164.43 24.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -45.31 -59.46 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HG2' ' CE ' ' A' ' 26' ' ' LYS . 14.6 tt0 -43.22 -48.52 6.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.11 -61.81 2.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -47.82 -39.84 19.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -63.95 -66.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.424 ' CE ' ' HG2' ' A' ' 22' ' ' GLU . 37.7 mttm -44.42 -54.79 5.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.39 -50.08 75.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.556 ' CE1' HG22 ' A' ' 52' ' ' ILE . 19.4 t80 -51.95 -52.01 53.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.4 mtp180 -57.18 -60.06 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.5 ttt180 -34.54 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.783 HD11 ' O ' ' A' ' 13' ' ' LEU . 43.0 mt -81.89 -61.87 1.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -42.65 -50.29 5.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.14 -35.9 70.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -79.53 -29.39 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.66 23.43 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.7 t-80 -75.65 140.66 71.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.636 0.731 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.8 Cg_endo -69.78 -11.13 30.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.706 2.271 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -102.42 -45.39 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.806 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -72.69 -50.2 26.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.501 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 12.5 t-20 -80.34 -52.11 8.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 70.71 25.99 3.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.26 143.98 36.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.43 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.305 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -60.97 -20.94 58.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -88.9 -58.79 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.7 m -53.77 -50.3 66.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -41.45 -28.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.38 -40.58 29.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.5 t80 -47.96 -51.88 21.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -43.68 -44.54 6.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.58 88.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.556 HG22 ' CE1' ' A' ' 28' ' ' TYR . 4.3 mt -52.37 -68.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -37.74 -44.9 1.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.442 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 58' ' ' VAL . 37.1 m -50.61 -49.64 56.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.317 . . . . 0.0 111.098 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.04 -56.22 16.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.464 ' O ' ' CB ' ' A' ' 60' ' ' SER . 88.0 t80 -49.6 -46.0 48.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.82 -43.54 69.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' HB3' ' A' ' 64' ' ' LYS . 95.1 t -61.0 -71.33 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 61' ' ' ASN . 28.2 mt -53.44 -53.27 53.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 48.4 t -38.37 -27.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 59' ' ' LEU . 7.1 t30 -100.62 141.21 22.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.605 0.717 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 54.4 Cg_endo -69.75 -34.82 13.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -75.11 -45.17 42.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HB3' HG13 ' A' ' 58' ' ' VAL . 25.9 mttm -76.31 -16.25 59.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.7 ttt-85 -88.78 -51.26 5.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 19.4 ptpt -53.54 -36.93 62.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 13.1 pt20 -71.6 -34.6 70.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.459 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 56.9 t80 -72.64 -38.22 67.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.65 -35.73 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -79.94 -50.75 9.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.55 -73.96 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 134.1 -165.61 24.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.1 p -94.4 148.16 22.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.69 171.86 46.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -1.77 9.03 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.666 2.244 . . . . 0.0 112.323 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 84.0 p 51.63 44.62 29.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -136.47 115.95 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -133.11 155.75 48.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.827 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -90.03 -64.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.16 106.54 1.91 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -146.62 135.99 22.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -62.75 -11.17 15.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.46 106.94 2.98 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -105.77 137.44 43.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 68' ' ' TYR . 21.9 m-85 -50.26 -58.41 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -43.13 -46.76 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -64.94 -53.28 48.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.1 mt -44.09 -30.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.51 -36.48 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.51 42.14 2.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.3 m -136.59 176.11 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.901 0.381 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -83.81 167.26 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -77.59 100.99 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.84 16.9 3.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.531 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.23 137.56 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.763 0.316 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.5 p -67.16 162.43 22.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.665 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 m-20 -44.84 -58.3 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -45.23 -54.99 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.59 -45.29 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.9 mt -63.06 -32.13 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 44.5 tttm -70.5 -68.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -39.0 -57.31 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.34 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.062 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.658 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.4 t80 -53.61 -54.38 38.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.8 mtp180 -60.19 -57.87 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 9.9 ttm180 -34.52 -33.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' ARG . 54.2 mt -83.86 -60.51 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.18 -47.62 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -56.37 -39.22 72.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.1 tttp -74.75 -33.01 62.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -107.74 23.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -77.48 140.64 64.64 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.6 Cg_endo -69.73 -26.33 27.84 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.353 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -86.38 -36.02 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 33' ' ' LEU . 4.5 mtpm? -79.42 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -61.16 161.44 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.422 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 9.1 p80 -122.87 -41.44 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -76.59 143.78 72.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.97 55.74 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . 117.31 -64.36 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -36.85 -53.27 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.532 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -52.15 -54.42 30.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.109 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -39.29 -30.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -79.19 -44.74 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 46' ' ' THR . 13.2 t80 -45.69 -37.38 5.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -57.08 -47.91 79.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.91 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.2 mt -45.99 -70.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -38.47 -54.73 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 53' ' ' GLY . 56.1 m -37.91 -43.61 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.748 0.309 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.01 -55.11 8.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.658 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 77.5 t80 -49.17 -46.1 44.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.47 -54.09 42.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 64' ' ' LYS . 88.5 t -52.35 -71.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.656 HD21 ' CE2' ' A' ' 68' ' ' TYR . 32.8 mt -50.87 -56.09 13.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 47.6 t -37.62 -32.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.2 m120 -93.93 141.4 23.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.62 0.724 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.85 13.78 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -78.65 -39.15 37.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HB3' HG13 ' A' ' 58' ' ' VAL . 44.8 mttm -80.37 -15.08 57.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -86.93 -64.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.2 ptmm? -45.53 -42.84 11.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -67.52 -37.08 82.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.656 ' CE2' HD21 ' A' ' 59' ' ' LEU . 14.2 t80 -68.23 -36.08 78.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.06 -12.27 59.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -97.26 -58.23 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -82.77 -73.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 114.23 131.58 5.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.4 t -51.39 -41.08 60.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -143.21 178.43 21.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 129.81 18.2 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.355 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.3 m -123.91 44.89 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.0 p -90.78 137.75 32.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -71.76 136.13 47.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -99.24 174.58 6.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.19 52.42 6.22 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -98.33 -45.62 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -113.74 155.68 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.47 -115.98 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.19 131.54 35.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.699 ' CE2' HG11 ' A' ' 58' ' ' VAL . 28.0 m-85 -46.12 -54.03 9.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' CE1' HD13 ' A' ' 59' ' ' LEU . 30.7 m-85 -51.56 -43.75 62.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -66.08 -57.35 7.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.5 mt -38.44 -42.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 mt -82.81 -41.71 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.93 53.07 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -143.52 172.66 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -83.37 169.73 15.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 49.2 mtm180 -81.83 100.85 9.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.53 16.79 3.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 141.83 57.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 t -71.74 171.58 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -47.57 -62.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.29 -63.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -45.0 -52.2 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.11 -36.84 75.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 25.5 ttpt -72.02 -70.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 39.6 mttm -36.94 -56.91 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.46 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.067 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' CD1' HG22 ' A' ' 52' ' ' ILE . 8.2 t80 -53.44 -56.55 15.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 30.6 mtp180 -57.5 -57.81 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.916 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' ARG . 26.4 ttm180 -34.79 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 69.8 mt -84.63 -60.12 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -38.63 -51.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 1.2 mm? -53.12 -37.34 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.6 tttm -80.74 -28.65 36.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 96.0 m-85 -112.44 34.2 4.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.8 t-80 -88.61 140.72 29.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.57 0.7 . . . . 0.0 110.853 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.668 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.72 -16.94 37.96 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.278 . . . . 0.0 112.33 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB2' ' ND1' ' A' ' 36' ' ' HIS . 0.5 OUTLIER -94.16 -30.7 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.48 -52.45 5.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -73.16 127.23 32.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -87.96 -36.56 17.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -84.86 143.72 40.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.569 0.699 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -167.5 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.611 2.207 . . . . 0.0 112.317 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 -52.17 3.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.566 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -64.38 -62.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.668 HG21 ' HB3' ' A' ' 37' ' ' PRO . 94.6 m -44.39 -61.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 16.5 mp0 -39.4 -29.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.82 -43.12 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' THR . 9.9 t80 -40.73 -47.04 2.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -44.23 -52.08 7.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.27 -45.25 88.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.44 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -49.95 -70.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.35 -51.17 2.31 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.517 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.5 m -43.27 -45.46 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.159 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.93 -58.99 4.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' O ' ' CB ' ' A' ' 60' ' ' SER . 72.7 t80 -48.61 -45.72 38.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.64 -39.62 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.699 HG11 ' CE2' ' A' ' 9' ' ' TYR . 87.9 t -65.3 -71.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD13 ' CE1' ' A' ' 10' ' ' TYR . 29.9 mt -53.56 -52.39 59.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.6 t -39.17 -26.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' LEU . 22.6 m-20 -99.42 143.95 27.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -39.96 5.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.73 -50.18 46.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.658 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.9 mttt -69.22 -23.35 63.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.419 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 58.5 ttt180 -78.72 -49.72 12.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.3 pttt -63.07 -40.35 97.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' CG ' ' HA ' ' A' ' 64' ' ' LYS . 1.6 pp0? -70.94 -35.94 72.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -61.86 -38.07 86.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.6 -50.37 52.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -68.03 -62.54 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.958 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.09 -72.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 139.47 -159.15 25.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -102.65 152.31 21.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.878 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 65.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -175.16 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.4 m -77.97 112.23 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.2 m -70.65 131.57 44.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.515 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p -99.19 -64.57 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p 42.54 51.9 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.74 79.66 1.06 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -72.21 90.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 t 44.33 38.6 2.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.1 49.61 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' GLU . 30.7 m-20 -137.19 133.44 35.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.709 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 23.8 m-85 -38.06 -57.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.2 m-85 -48.29 -36.66 14.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' ASP . 5.2 mm-40 -75.87 -55.72 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.1 mt -41.17 -42.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.827 ' O ' HD11 ' A' ' 31' ' ' LEU . 43.7 mt -78.99 -41.07 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.1 46.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -136.07 172.26 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -81.19 167.72 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 37.4 mtm180 -77.79 102.52 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 16.36 4.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.659 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.21 137.97 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 m -71.81 166.38 22.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 m-20 -50.94 -28.97 10.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -64.39 -58.87 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.659 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.7 t70 -56.71 -46.56 81.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.5 mt -57.7 -37.54 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -66.7 -67.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -45.32 -53.96 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.16 -55.9 25.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.571 ' HD1' HG22 ' A' ' 52' ' ' ILE . 13.2 t80 -46.45 -53.56 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.8 mtp180 -60.83 -59.75 4.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 29' ' ' ARG . 12.0 ttm180 -34.77 -32.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.827 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.6 mt -85.46 -58.54 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -40.75 -51.61 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -55.66 -36.21 66.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.0 ttmm -75.95 -33.38 59.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -108.35 24.51 12.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 5.1 t-80 -79.2 140.69 57.13 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.596 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.74 -21.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -94.92 -22.07 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mmtm -90.82 -54.57 3.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -70.64 150.92 45.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -101.47 -42.89 6.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.9 143.95 50.77 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 175.4 8.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.4 -62.06 2.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.76 -41.18 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.596 HG21 ' HB3' ' A' ' 37' ' ' PRO . 2.0 m -58.09 -47.03 84.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -48.72 -26.72 2.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.8 -45.2 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -44.57 -40.68 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.09 -60.38 3.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.05 -39.5 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.571 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -56.37 -63.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -40.18 -45.43 3.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.2 m -50.09 -56.6 10.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.768 0.318 . . . . 0.0 111.103 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -53.83 -61.69 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' SER . 90.4 t80 -47.44 -53.05 15.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.12 -41.3 12.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 64' ' ' LYS . 96.7 t -73.7 -66.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.755 HD21 ' CE2' ' A' ' 68' ' ' TYR . 76.8 mt -54.97 -59.86 4.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 59' ' ' LEU . 52.0 p -36.2 -34.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.3 t30 -91.17 141.35 26.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.4 Cg_endo -69.85 -44.99 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -61.88 -61.52 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 58' ' ' VAL . 67.4 mttt -55.69 -31.34 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.56 -41.07 72.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -46.61 -63.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -55.19 -37.22 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.755 ' CE2' HD21 ' A' ' 59' ' ' LEU . 74.0 t80 -69.59 -25.99 64.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.74 -43.06 15.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 -65.94 -55.2 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -106.31 -66.76 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.31 -171.83 17.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -98.08 171.86 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.882 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.18 -158.16 9.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.98 29.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.6 t -85.08 137.01 33.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.0 p -164.43 146.34 8.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -121.39 143.61 49.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -102.54 154.53 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.2 -46.28 1.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -146.07 148.01 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -117.74 85.99 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.74 101.37 2.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.59 146.99 25.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.617 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.6 m-85 -46.92 -58.53 3.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 77.8 m-85 -52.11 -38.8 58.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.29 -58.38 5.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.85 -44.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 31' ' ' LEU . 47.6 mt -77.57 -36.61 51.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.73 49.91 1.33 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.484 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -142.62 179.87 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.855 0.36 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -95.25 162.75 13.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.551 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 16.5 mtm105 -73.58 101.52 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.27 16.76 3.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.444 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.37 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 0.0 111.133 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 t -62.34 169.56 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -60.54 -53.06 62.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 7.4 pt-20 -54.64 -46.02 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 8.3 m-20 -57.01 -47.69 80.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.3 -43.83 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 2.7 ttmp? -65.97 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' LYS . 1.8 mptp? -35.38 -60.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.86 -51.19 68.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.063 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -49.6 -52.14 32.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' LEU . 17.6 mtp180 -56.47 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 22.9 ttt180 -37.23 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 13' ' ' LEU . 65.1 mt -84.53 -59.57 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' LEU . . . -35.25 -49.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -60.11 -43.21 95.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 43.2 tttp -74.03 -16.1 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.616 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 76.5 m-85 -120.61 20.13 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.518 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.6 t-80 -83.59 140.65 41.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.59 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.77 -12.93 33.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -103.86 -57.12 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -62.85 -19.79 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.592 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -108.52 129.09 55.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' A' ' 42' ' ' ALA . 9.3 p80 -85.73 -42.63 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' N ' ' CG ' ' A' ' 41' ' ' HIS . . . -75.98 143.85 74.87 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.115 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -168.24 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.721 2.281 . . . . 0.0 112.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.94 -60.94 2.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -39.95 -49.97 2.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -58.44 -53.03 62.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -42.53 -25.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 46' ' ' THR . . . -85.08 -45.44 12.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -42.76 -43.57 4.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -51.91 -45.15 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.33 -48.86 63.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.3 mt -47.76 -69.12 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.59 -45.68 1.02 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 58' ' ' VAL . 30.0 m -52.61 -52.4 55.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 111.115 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.26 -58.2 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 88.6 t80 -51.41 -38.86 55.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.35 -31.73 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.107 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.775 HG13 ' HB3' ' A' ' 64' ' ' LYS . 94.2 t -73.56 -64.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.8 mt -57.35 -41.77 80.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 66.1 p -50.22 -38.1 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -86.78 144.0 36.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -32.83 17.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -77.6 -49.06 15.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HB3' HG13 ' A' ' 58' ' ' VAL . 78.2 mttt -68.85 -21.85 64.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.9 ttt-85 -83.39 -61.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -49.81 -36.72 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' N ' ' HD2' ' A' ' 66' ' ' LYS . 6.7 pt20 -69.94 -34.29 73.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 66.4 t80 -75.03 -50.95 14.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.49 -19.62 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -88.12 -63.0 1.37 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 72' ' ' GLY . 67.7 m-85 -102.82 -48.99 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 71' ' ' PHE . . . -37.91 -91.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.436 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.5 p -64.42 119.95 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 167.85 75.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.51 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 94.87 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.381 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 p -38.09 -43.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.5 p 40.1 45.72 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.5 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -154.23 142.44 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -105.97 130.46 53.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.62 -143.63 5.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.1 p -115.1 117.51 30.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -143.6 157.0 44.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.3 49.05 0.56 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -87.38 140.52 29.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.597 ' CE2' HG11 ' A' ' 58' ' ' VAL . 23.3 m-85 -44.18 -53.54 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.657 ' CE1' HD13 ' A' ' 59' ' ' LEU . 70.9 m-85 -53.91 -38.12 64.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -67.5 -40.48 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.62 -34.62 55.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.792 ' O ' HD11 ' A' ' 31' ' ' LEU . 27.1 mt -88.42 -30.98 19.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.02 46.17 3.41 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.2 m -140.32 175.62 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.9 m -85.73 166.01 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 81.4 mtm180 -77.8 104.32 8.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.62 16.34 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.26 133.63 50.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.48 162.31 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.37 -61.18 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -44.92 -47.44 11.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.15 -52.28 66.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.21 -31.71 63.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -71.89 -56.21 6.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -45.77 -57.04 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.36 -53.21 60.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.139 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.478 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -48.09 -47.48 34.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 31' ' ' LEU . 52.7 mtt180 -62.33 -66.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ARG . 16.3 ttt-85 -37.31 -28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 13' ' ' LEU . 89.6 mt -86.25 -61.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.97 -43.48 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.39 -38.32 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.2 tttp -70.31 -24.2 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 90.2 m-85 -106.86 -10.29 16.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.6 t-80 -53.25 140.69 43.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.588 0.709 . . . . 0.0 110.85 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.569 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.76 -43.25 2.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.745 2.296 . . . . 0.0 112.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -62.81 -38.34 90.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -82.75 -62.32 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 41' ' ' HIS . 13.8 t-20 -57.99 168.39 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 90.2 m-70 -108.54 -53.57 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.85 143.78 81.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 44' ' ' GLY . 53.6 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.374 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.35 -39.89 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.448 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.14 -50.9 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -49.67 -50.98 41.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -42.46 -34.71 0.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HB3' ' CD2' ' A' ' 35' ' ' PHE . . . -73.16 -41.56 63.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 3.3 t80 -44.42 -36.14 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -48.41 68.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.478 HG22 ' CD1' ' A' ' 28' ' ' TYR . 2.3 mt -41.95 -59.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.092 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -50.78 -46.0 48.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.455 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.812 ' O ' HG23 ' A' ' 58' ' ' VAL . 89.9 m -52.21 -29.5 22.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.67 -61.29 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.428 ' O ' ' CB ' ' A' ' 60' ' ' SER . 17.5 t80 -52.72 -41.16 63.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -25.5 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 54' ' ' THR . 97.6 t -80.92 -66.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.657 HD13 ' CE1' ' A' ' 10' ' ' TYR . 37.1 mt -56.69 -40.66 75.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 38.4 t -50.56 -35.96 32.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' N ' HD22 ' A' ' 61' ' ' ASN . 1.6 m-80 -91.69 144.58 29.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -43.85 2.38 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 16.1 pt-20 -65.8 -46.25 79.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 68.3 mttt -74.66 -19.7 60.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.7 ttt-85 -84.51 -60.48 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 5.8 ptmm? -47.03 -47.15 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 1.2 pp0? -64.68 -35.49 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 44.3 t80 -66.42 -47.06 74.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.53 -53.55 54.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.04 -63.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -88.44 -70.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 91.12 176.56 43.64 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.0 t -52.8 97.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.82 83.43 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.348 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.5 t -119.26 136.0 54.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -79.11 164.45 24.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -72.9 171.92 11.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 110.82 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -155.01 158.9 39.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.03 127.87 6.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.1 p -83.52 42.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -43.23 -50.72 6.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.3 49.63 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -104.13 151.37 23.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.525 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 23.8 m-85 -54.12 -66.58 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.542 ' CE1' HD13 ' A' ' 59' ' ' LEU . 72.5 m-85 -42.29 -34.5 0.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -73.38 -48.99 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -51.59 -37.73 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.755 ' O ' HD11 ' A' ' 31' ' ' LEU . 38.4 mt -84.69 -36.57 21.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.42 51.23 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG21 HD23 ' A' ' 24' ' ' LEU . 26.2 m -139.76 174.02 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.4 m -80.8 161.6 24.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 17' ' ' ARG . 1.4 mpp_? -73.63 100.28 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.46 16.84 4.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.86 48.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 111.07 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -65.99 167.31 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.531 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -46.03 -62.18 1.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.34 -56.31 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 11.7 t0 -52.79 -56.5 15.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.3 mt -50.88 -35.12 31.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -69.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -39.27 -56.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.87 90.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CZ ' ' HA2' ' A' ' 53' ' ' GLY . 14.6 t80 -57.29 -56.55 20.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.6 mtt180 -57.12 -56.56 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.2 ttm180 -37.0 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.755 HD11 ' O ' ' A' ' 13' ' ' LEU . 63.2 mt -89.14 -56.28 3.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.72 -46.65 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.4 -45.62 92.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HE2' ' CZ ' ' A' ' 35' ' ' PHE . 1.6 tmtp? -67.98 -23.64 65.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' CZ ' ' HE2' ' A' ' 34' ' ' LYS . 60.9 m-85 -113.33 14.58 19.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.4 t-80 -75.11 140.69 73.64 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 110.828 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.684 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.0 Cg_endo -69.74 -15.06 36.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.06 -15.57 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -98.0 -50.44 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.454 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 6.3 t-20 -74.42 167.36 21.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -102.18 -46.13 4.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.65 143.14 35.42 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.569 0.699 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -33.75 15.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.74 -49.54 7.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -65.36 -41.32 93.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 37' ' ' PRO . 35.7 m -57.41 -59.35 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -39.6 -30.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -69.79 -42.23 74.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 46' ' ' THR . 5.1 t80 -44.18 -47.26 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -52.69 -33.28 46.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.79 -35.2 67.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 35' ' ' PHE . 4.4 mt -63.04 -64.09 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.465 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -39.05 -35.26 0.37 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.518 ' O ' HG23 ' A' ' 58' ' ' VAL . 90.3 m -66.99 -41.49 86.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ILE . . . -68.6 -53.48 22.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.623 ' HA ' HD11 ' A' ' 13' ' ' LEU . 16.2 t80 -52.05 -52.89 48.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.01 -50.83 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.624 HG13 ' HB3' ' A' ' 64' ' ' LYS . 89.3 t -52.93 -63.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.542 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.6 mt -66.14 -16.88 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' TYR . 1.3 t -75.24 -29.31 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 17.8 m-80 -95.28 143.2 25.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -18.32 36.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.16 -47.84 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 58' ' ' VAL . 87.8 mttt -76.4 -11.77 59.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.7 ttt180 -91.12 -60.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -52.65 -40.0 62.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -65.86 -36.17 82.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 42.3 t80 -68.08 -35.87 78.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -73.94 -54.05 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.19 -66.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -81.19 -58.2 3.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 68' ' ' TYR . . . 65.22 149.84 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -125.31 95.79 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -142.0 161.12 27.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.438 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.45 36.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.222 . . . . 0.0 112.378 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.8 t -121.17 -51.16 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.9 t -102.59 120.25 40.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -40.31 152.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.915 0.388 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.1 m -119.03 172.93 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.0 150.81 14.16 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.2 p -68.43 114.45 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.802 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -71.89 83.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.06 73.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -109.2 144.53 37.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.562 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 19.3 m-85 -55.24 -61.8 2.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -43.41 -40.5 3.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -71.35 -50.58 30.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.8 mt -45.68 -22.45 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.667 ' O ' HD11 ' A' ' 31' ' ' LEU . 10.4 mt -107.61 -22.56 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.28 59.75 2.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.23 179.97 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.178 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.6 m -93.06 158.78 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -71.74 103.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.08 15.65 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.43 132.55 47.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -64.94 -177.94 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -64.95 -28.46 69.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 9.9 pt-20 -72.07 -51.39 21.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.864 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.7 t0 -57.32 -43.51 83.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -64.55 -36.79 85.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -68.11 -70.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' LYS . 43.5 mttm -36.82 -56.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.52 85.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 56' ' ' TYR . 16.2 t80 -52.9 -47.75 67.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 42.8 mtm180 -61.78 -68.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 29' ' ' ARG . 11.9 ttt180 -35.04 -34.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.667 HD11 ' O ' ' A' ' 13' ' ' LEU . 82.8 mt -81.56 -57.77 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -42.22 2.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD23 ' HE2' ' A' ' 39' ' ' LYS . 5.2 mp -72.09 -30.29 64.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 31' ' ' LEU . 21.1 tttm -70.49 -24.59 62.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.588 ' CD2' HD11 ' A' ' 52' ' ' ILE . 90.6 m-85 -107.03 -24.31 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.531 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 7.0 t-80 -40.03 140.48 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 0.0 110.841 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.3 Cg_endo -69.72 -22.05 32.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.355 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -84.29 -33.7 23.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HE2' HD23 ' A' ' 33' ' ' LEU . 10.1 mptt -89.13 -52.84 4.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -90.99 117.15 29.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.465 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 0.2 OUTLIER -93.35 26.22 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.03 143.79 29.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.536 0.684 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 164.05 35.93 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.57 -63.94 1.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 48' ' ' ALA . . . -38.32 -50.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 37' ' ' PRO . 32.3 m -58.28 -55.25 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -45.8 -21.46 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -80.84 -37.16 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CD1' ' O ' ' A' ' 49' ' ' PHE . 2.8 t80 -45.06 -34.21 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -66.36 -35.52 80.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.74 71.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.588 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.5 mt -58.2 -64.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.06 -45.84 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.3 m -54.44 -48.37 71.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.138 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.69 -56.67 12.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.524 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 58.0 t80 -53.48 -38.26 63.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.27 -61.36 2.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.67 -59.21 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.586 HD21 ' CE2' ' A' ' 68' ' ' TYR . 70.5 mt -62.24 -57.84 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.9 t -42.9 -29.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -85.34 144.03 40.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -69.14 -60.23 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -48.24 -32.74 7.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -74.84 -40.8 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -49.5 -62.22 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -54.23 -44.22 71.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.586 ' CE2' HD21 ' A' ' 59' ' ' LEU . 54.6 t80 -59.4 -28.72 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.59 -45.63 15.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.857 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.24 -59.45 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.09 -56.22 8.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.94 -35.74 3.04 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.4 m -167.18 155.47 9.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.379 . . . . 0.0 110.833 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 148.35 18.96 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 179.57 3.64 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.647 2.231 . . . . 0.0 112.369 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.2 m 43.21 50.14 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.6 m -147.42 158.74 44.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.521 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.8 p -75.56 -23.23 56.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -114.39 170.07 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.76 66.7 3.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -76.57 99.51 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.8 p -86.75 -49.52 7.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.27 83.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -72.27 146.78 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' TYR . 16.8 m-85 -48.5 -66.11 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' TYR . 38.0 m-85 -37.9 -39.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -73.58 -48.01 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -47.91 -33.85 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' A' ' 28' ' ' TYR . 71.2 mt -94.16 -36.85 11.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.06 58.34 1.03 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.506 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.7 m -143.57 172.76 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.6 m -85.21 162.45 19.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.48 101.69 3.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.23 15.16 3.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.54 134.59 51.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -62.87 172.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.673 ' HA ' HD12 ' A' ' 24' ' ' LEU . 30.9 m-20 -53.35 -49.43 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -48.86 -62.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 7.1 t0 -47.31 -53.62 13.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 21' ' ' ASP . 9.1 mt -52.17 -39.16 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 35.0 ttpt -70.28 -64.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 23' ' ' ASP . 6.8 mtmp? -39.12 -57.67 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 4.3 t80 -52.13 -52.54 50.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 31' ' ' LEU . 32.2 mtt-85 -65.17 -61.08 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' ARG . 20.9 ttm180 -36.05 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 29' ' ' ARG . 96.1 mt -82.87 -60.65 2.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -47.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.59 -41.01 89.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 31' ' ' LEU . 26.3 tttt -71.35 -29.6 65.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.946 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -105.37 10.14 33.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.2 t-80 -71.18 140.63 85.56 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.541 0.686 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.531 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.3 Cg_endo -69.78 -34.49 14.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 -43.13 67.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -81.13 -54.29 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -87.39 120.41 28.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -102.79 45.83 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.3 144.17 50.87 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 111.063 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.2 44.75 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' ALA . . . 96.92 -63.43 1.04 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' GLY . . . -35.4 -50.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.531 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.35 -49.39 77.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -46.12 -22.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 51' ' ' ALA . . . -85.63 -44.4 12.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.434 ' CE1' ' HB1' ' A' ' 32' ' ' ALA . 5.1 t80 -38.91 -37.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -63.23 -46.08 88.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' ALA . . . -63.6 -51.98 62.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.066 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.492 HG22 ' HD1' ' A' ' 28' ' ' TYR . 2.4 mt -36.65 -60.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' THR . . . -45.02 -62.18 3.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.513 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' GLY . 25.4 m -34.15 -50.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 111.162 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.53 -57.04 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.141 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CG ' ' CD2' ' A' ' 28' ' ' TYR . 93.6 t80 -55.17 -56.77 16.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.4 -30.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.4 t -80.31 -71.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CB ' HD22 ' A' ' 24' ' ' LEU . 18.3 mt -48.06 -53.54 16.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -42.84 -27.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 43.7 m-20 -92.43 144.1 28.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -39.83 6.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -76.71 -55.1 5.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -19.21 54.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 62.5 ttt180 -83.84 -55.07 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 6.0 ptpp? -59.72 -35.68 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' C ' ' CD ' ' A' ' 67' ' ' GLN . 1.8 pp0? -71.14 -32.56 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -78.68 -14.47 59.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -94.58 -23.67 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -95.81 -55.77 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -81.71 -56.7 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 74' ' ' GLY . . . -58.7 -107.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -42.67 94.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 72' ' ' GLY . . . -159.34 146.05 12.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -42.47 3.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.7 p -74.83 147.09 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.0 p -148.56 124.25 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 p -53.56 -58.55 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.905 0.383 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -46.54 -44.36 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.06 43.85 2.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m 58.49 42.3 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.881 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 p -64.11 122.67 17.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.97 65.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.97 144.33 26.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.883 ' CE2' HG11 ' A' ' 58' ' ' VAL . 21.5 m-85 -50.64 -48.67 58.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD13 ' A' ' 59' ' ' LEU . 23.4 m-85 -52.64 -38.99 61.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.85 -51.22 23.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.9 mt -44.31 -37.5 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.9 mt -89.35 -35.78 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.86 55.23 1.23 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.86 175.29 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.119 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 m -85.43 164.93 17.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 1.8 mpp_? -76.55 100.17 5.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.37 16.69 3.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.601 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.85 129.8 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.6 p -62.92 170.94 2.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 -47.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.2 OUTLIER -37.45 -59.34 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.601 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 5.5 t0 -47.95 -52.84 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 21' ' ' ASP . 11.4 mt -58.35 -40.2 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -66.43 -69.8 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -38.68 -56.41 1.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.85 76.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.469 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -50.73 -50.95 54.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 43.9 mtm180 -57.51 -68.07 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' ARG . 18.7 ttt180 -34.52 -32.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.1 mt -81.41 -57.68 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -46.26 -47.56 18.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.5 -27.03 68.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 35' ' ' PHE . 11.1 ttmm -77.08 -35.77 56.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 52' ' ' ILE . 99.2 m-85 -98.24 -10.12 24.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.5 t-80 -47.55 140.77 7.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.569 0.699 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.585 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.81 -27.86 25.72 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -77.18 -38.36 51.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -84.37 -36.47 22.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.578 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 28.3 t-20 -108.82 133.02 53.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.07 36.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.93 140.2 37.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.55 0.691 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.17 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.35 -38.29 33.68 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -72.38 -57.36 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.2 m -53.07 -40.87 64.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -55.03 -23.71 21.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.26 -44.49 13.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -39.79 -39.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -59.13 -52.05 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.06 83.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 35' ' ' PHE . 3.6 mt -39.39 -61.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -50.03 -58.19 8.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.439 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 58' ' ' VAL . 86.3 m -35.86 -31.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.153 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -83.18 -53.78 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 60' ' ' SER . 84.3 t80 -54.41 -41.63 69.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.66 -35.04 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 9' ' ' TYR . 76.8 t -66.55 -67.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.555 HD13 ' CE1' ' A' ' 10' ' ' TYR . 38.3 mt -59.11 -46.76 87.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.9 t -46.7 -33.38 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 87.0 m-20 -94.89 140.26 22.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.647 0.737 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -31.81 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.393 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.2 -46.13 36.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -78.59 -17.95 55.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 65.4 ttt-85 -86.36 -53.71 4.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -46.42 -52.42 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 66' ' ' LYS . 13.2 pt20 -58.11 -42.56 85.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CD2' ' CD2' ' A' ' 9' ' ' TYR . 2.9 t80 -61.25 -38.73 87.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -51.54 17.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.83 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -59.26 -65.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.869 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -73.44 -64.18 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.18 -134.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.2 m 40.39 54.07 2.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.962 0.411 . . . . 0.0 110.871 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.57 147.96 17.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -36.65 10.45 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.682 2.255 . . . . 0.0 112.402 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 m -103.36 167.16 9.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.7 p -149.92 134.68 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -44.34 -44.31 8.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -57.28 151.24 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.01 -166.06 34.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -169.87 107.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 p -121.33 105.27 10.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.01 63.89 4.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.29 132.12 39.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.739 ' CE2' HG21 ' A' ' 58' ' ' VAL . 23.5 m-85 -51.2 -56.23 13.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.958 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -41.94 -38.79 1.67 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -73.52 -53.93 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -43.04 -38.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.517 ' O ' HD11 ' A' ' 31' ' ' LEU . 12.6 mt -85.84 -40.58 15.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.99 55.17 1.07 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.497 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -142.03 173.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.846 0.355 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -83.37 167.11 17.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -78.52 101.19 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.22 16.84 4.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.56 133.93 50.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.4 t -65.44 160.57 21.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -40.14 -61.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -41.65 -59.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.31 -51.54 14.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.88 -36.11 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -63.27 -65.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -45.67 -54.38 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.43 -44.24 89.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.0 t80 -56.68 -57.78 10.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 31' ' ' LEU . 22.4 mtp85 -57.11 -58.05 9.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 29' ' ' ARG . 17.6 ttm180 -34.6 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 ' O ' ' A' ' 13' ' ' LEU . 38.8 mt -84.1 -61.13 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.02 -49.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -54.97 -34.95 63.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.543 ' HD3' ' CZ ' ' A' ' 35' ' ' PHE . 15.4 tttp -81.45 -28.3 34.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.543 ' CZ ' ' HD3' ' A' ' 34' ' ' LYS . 70.1 m-85 -114.85 30.27 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.524 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.6 t-80 -76.9 140.52 67.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.673 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.2 Cg_endo -69.73 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.358 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.65 -34.29 75.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.475 ' CB ' ' HB3' ' A' ' 36' ' ' HIS . 1.7 ttmm -77.07 -68.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.536 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 13.1 t-20 -67.77 142.14 56.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -100.9 22.36 12.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.34 139.36 33.67 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.332 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.34 -35.16 5.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.455 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -66.76 -61.23 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 111.087 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.673 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -52.55 -49.02 65.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.175 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -43.07 -26.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.01 -38.85 17.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -52.84 -44.33 66.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -49.73 -48.07 50.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -43.52 95.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.041 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.7 mt -50.96 -64.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.085 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -38.27 -53.66 2.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.463 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.8 m -47.75 -43.66 27.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 111.105 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.92 -58.79 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -48.62 -44.65 37.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.69 -40.86 72.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.739 HG21 ' CE2' ' A' ' 9' ' ' TYR . 88.2 t -60.61 -70.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.2 -53.49 55.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.4 t -46.44 -27.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 93.8 m-20 -93.84 146.82 32.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.99 -60.12 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -51.55 -30.27 20.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 59.9 ttt-85 -81.01 -41.87 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -47.66 -62.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -52.97 -39.26 62.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 24.3 t80 -58.76 -29.02 66.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -84.46 -51.58 6.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -66.6 -59.32 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -72.38 -68.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.71 -159.72 3.12 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.7 m 48.1 42.05 16.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -140.98 72.91 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 91.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.4 m -171.94 172.43 4.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.5 p -101.17 42.27 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 40.97 41.81 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -71.06 136.25 48.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.97 89.42 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -92.95 114.76 27.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.365 . . . . 0.0 110.881 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 m -86.94 -60.33 2.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.02 62.0 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -40.51 140.67 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 32.5 m-85 -49.34 -49.22 45.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 59' ' ' LEU . 63.7 m-85 -51.59 -37.39 49.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -70.34 -55.76 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.6 mt -41.98 -39.98 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.695 ' O ' HD11 ' A' ' 31' ' ' LEU . 17.7 mt -79.56 -37.45 36.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.88 43.75 2.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.9 m -132.73 -176.64 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -93.41 163.1 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -72.95 101.53 3.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.54 16.9 4.06 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.777 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.28 132.59 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.087 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.5 t -64.66 170.06 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.7 p30 -49.67 -47.17 50.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -55.07 -59.53 4.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.777 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 3.7 t70 -48.86 -46.49 42.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.9 mt -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -75.42 -61.39 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -47.6 -54.45 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.15 94.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.1 t80 -55.45 -54.72 40.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' ARG . 32.5 mtt-85 -50.76 -63.08 1.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.5 ttt-85 -34.46 -36.26 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD11 ' O ' ' A' ' 13' ' ' LEU . 67.6 mt -76.01 -63.75 1.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -42.18 -52.9 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HE2' ' A' ' 39' ' ' LYS . 4.1 mm? -52.95 -31.19 38.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 31' ' ' LEU . 8.5 ttmm -86.41 -30.9 21.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -110.91 33.41 4.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.0 t-80 -84.92 140.66 37.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.722 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.7 Cg_endo -69.74 -31.31 20.85 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.308 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -76.91 -32.76 57.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' HE2' ' CD1' ' A' ' 33' ' ' LEU . 12.3 mttp -91.3 -60.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.91 119.17 7.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -88.33 -28.1 21.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.2 144.13 35.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.575 0.702 . . . . 0.0 111.106 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 179.83 3.47 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.49 -47.95 2.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.35 -54.96 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.722 HG21 ' HB3' ' A' ' 37' ' ' PRO . 88.7 m -59.66 -51.22 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -45.39 -33.77 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.75 -39.65 84.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 19.8 t80 -48.05 -51.33 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -40.1 -42.32 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.99 -50.0 46.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.495 HG22 ' CD1' ' A' ' 28' ' ' TYR . 6.7 mt -44.17 -69.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.15 -55.64 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 m -41.97 -38.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -75.03 -55.35 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -49.93 -44.38 50.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.32 -51.86 65.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.063 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' THR . 73.0 t -49.76 -60.09 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 10' ' ' TYR . 31.2 mt -67.21 -26.49 66.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.9 t -65.22 -38.06 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.42 ' CG ' ' HD2' ' A' ' 62' ' ' PRO . 5.8 t30 -88.41 140.74 30.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.8 Cg_endo -69.74 -25.85 28.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -83.96 -39.64 19.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -80.42 -19.24 46.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -83.12 -48.9 10.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 12.8 ptmm? -54.34 -44.45 72.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.472 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 8.3 pt20 -63.91 -34.86 78.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.468 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 45.9 t80 -75.53 -31.97 60.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -78.16 -39.38 41.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -71.05 -49.81 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.917 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -113.44 -67.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 68' ' ' TYR . . . 113.0 -145.76 18.3 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.8 m -134.0 156.27 48.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.1 172.8 19.61 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 98.87 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -61.71 146.47 49.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 m -134.88 140.12 45.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.506 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -100.39 98.27 8.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.83 0.348 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 p -91.9 138.86 31.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.72 136.22 31.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -56.66 119.37 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t -173.3 153.49 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 91.11 0.32 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.79 139.44 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.706 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 20.9 m-85 -50.96 -54.57 23.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -48.18 -36.5 13.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -71.23 -57.32 4.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.7 mt -39.85 -42.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' O ' HD11 ' A' ' 31' ' ' LEU . 26.4 mt -81.32 -37.21 28.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.58 52.28 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -139.99 173.71 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.9 m -80.46 164.82 22.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -78.35 103.01 8.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.55 16.79 4.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.544 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.22 138.66 57.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.093 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 88.0 p -71.54 164.05 26.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.709 ' HA ' HD12 ' A' ' 24' ' ' LEU . 40.4 t0 -48.31 -51.33 26.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -46.55 -64.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -48.24 -60.84 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 21' ' ' ASP . 10.4 mt -38.84 -47.1 1.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -58.63 -65.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -38.94 -53.29 1.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -49.2 77.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.491 ' CD1' HG22 ' A' ' 52' ' ' ILE . 41.6 t80 -52.9 -51.56 60.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.507 ' O ' HD12 ' A' ' 33' ' ' LEU . 27.1 mtp180 -54.98 -64.24 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 29' ' ' ARG . 10.9 ttt180 -36.66 -36.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.0 mt -79.06 -59.39 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.37 -51.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.049 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.83 -38.82 79.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE3' ' CE1' ' A' ' 35' ' ' PHE . 7.4 tmtm? -75.63 -25.18 56.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.554 ' CE1' ' HE3' ' A' ' 34' ' ' LYS . 72.5 m-85 -113.91 21.64 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.533 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.2 t-80 -80.21 140.76 53.19 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.551 0.691 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.699 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.4 Cg_endo -69.81 -26.86 26.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -85.32 -45.14 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.447 ' HE3' HD23 ' A' ' 33' ' ' LEU . 53.1 mttm -75.4 -54.1 7.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.524 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -87.41 120.35 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 41' ' ' HIS . 48.7 t-80 -89.23 38.33 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.37 138.71 33.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -51.02 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.56 -29.48 60.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -73.87 -47.18 40.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.893 0.378 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 37' ' ' PRO . 11.2 m -69.61 -40.06 76.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.18 -19.52 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.12 -40.84 16.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HE1' ' HH ' ' A' ' 28' ' ' TYR . 12.7 t80 -46.75 -44.82 19.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.76 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -46.97 36.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.032 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.7 mt -49.93 -68.98 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -35.16 -42.94 0.42 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 58' ' ' VAL . 29.1 m -54.71 -50.3 68.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 111.153 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.54 -61.88 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' ' CB ' ' A' ' 60' ' ' SER . 33.9 t80 -51.43 -39.38 57.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.13 -27.8 67.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 54' ' ' THR . 98.9 t -79.94 -61.18 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.01 -46.75 89.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 28.5 t -45.24 -29.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -95.77 147.06 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -47.82 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.95 -62.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -47.41 -28.55 2.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.22 -39.84 39.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -49.83 -58.65 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -51.91 -34.73 42.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 37.5 t80 -70.69 -50.96 30.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.925 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -58.27 -30.65 66.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -84.34 -59.51 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' GLY . 60.6 m-85 -95.91 -60.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.534 ' HA3' ' CD1' ' A' ' 68' ' ' TYR . . . -35.32 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 68' ' ' TYR . 27.0 p -66.1 81.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.902 0.382 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.7 83.42 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 73' ' ' SER . 53.4 Cg_endo -69.8 -27.61 26.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.1 m -86.66 150.93 23.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m 64.32 40.99 6.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.465 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -46.43 123.82 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.388 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -109.19 177.7 4.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.23 -154.85 23.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t -88.35 -50.54 6.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t 66.07 43.94 2.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.03 -49.16 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.74 144.94 30.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.492 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 21.4 m-85 -44.99 -56.27 4.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.46 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 41.2 m-85 -47.72 -40.09 19.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.47 -56.51 7.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -40.07 -41.45 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.143 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.8 mt -78.33 -43.98 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.84 41.12 1.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG21 HD23 ' A' ' 24' ' ' LEU . 11.8 m -133.15 176.99 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -83.16 166.58 18.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 21.9 mtp180 -76.65 98.61 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.6 16.87 3.3 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.609 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.26 130.79 44.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.342 . . . . 0.0 111.106 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 154.13 26.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 24' ' ' LEU . 37.7 m-20 -43.16 -39.11 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -55.93 -52.42 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.609 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.0 t0 -60.77 -55.99 26.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.8 mt -50.0 -33.64 18.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 54.5 tttt -67.18 -71.99 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -41.64 -54.91 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.81 -51.16 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.564 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.6 t80 -49.99 -53.11 28.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 31' ' ' LEU . 74.1 mtt180 -57.84 -57.56 12.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 29' ' ' ARG . 43.8 ttt85 -37.22 -29.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 29' ' ' ARG . 41.1 mt -86.86 -56.43 3.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.51 -46.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -63.31 -41.59 98.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 31' ' ' LEU . 44.9 tttt -76.72 -11.33 59.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 96.0 m-85 -125.41 17.08 8.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 2.8 t-80 -77.93 140.7 62.7 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.665 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.3 Cg_endo -69.84 -11.26 30.37 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.5 -62.5 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -54.23 -25.92 25.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 t-20 -101.81 172.49 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -113.34 -46.49 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.96 140.54 77.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' GLY . 54.4 Cg_endo -69.75 -50.16 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.345 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . . . -34.05 -42.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.472 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 35' ' ' PHE . . . -56.47 -50.49 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.665 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -57.3 -45.67 83.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -47.48 -20.38 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.03 -43.39 10.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.061 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -44.26 -45.15 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -55.27 -34.18 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.23 -42.36 26.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.564 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.3 mt -51.69 -70.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' ILE . . . -36.24 -50.85 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.1 m -42.97 -51.18 5.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.159 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.84 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.54 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 61.6 t80 -47.19 -50.39 20.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.25 -56.56 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 86.4 t -50.93 -70.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 68' ' ' TYR . 38.2 mt -53.65 -61.73 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 46.2 t -34.5 -36.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 59' ' ' LEU . 3.0 t30 -88.88 141.23 29.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 61' ' ' ASN . 53.6 Cg_endo -69.82 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.47 ' C ' ' CD ' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -60.5 -59.84 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.6 mttt -54.89 -35.06 63.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttt-85 -65.96 -40.07 90.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -50.85 -62.66 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.43 -34.55 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.495 ' CE2' HD21 ' A' ' 59' ' ' LEU . 56.2 t80 -72.59 -28.77 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.27 -28.85 26.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.25 -53.42 5.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -110.99 -72.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 152.4 -120.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.1 t -116.48 93.4 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.965 0.412 . . . . 0.0 110.921 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 44.99 -159.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 109.15 2.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.9 m -112.05 143.36 43.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 m -120.96 -42.78 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -47.88 -57.77 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -120.02 132.67 55.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.39 79.1 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -174.84 128.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.7 m -65.16 -46.28 81.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 152.76 59.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.471 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -37.79 141.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' TYR . 26.0 m-85 -64.14 -60.67 2.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' CE1' HD13 ' A' ' 59' ' ' LEU . 45.5 m-85 -36.08 -41.37 0.25 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.71 -54.92 20.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.0 mt -40.62 -42.19 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.674 ' O ' HD11 ' A' ' 31' ' ' LEU . 8.0 mt -83.89 -31.28 25.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.01 54.58 1.86 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.06 167.73 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -77.95 166.03 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 47.2 mtp180 -79.81 102.18 8.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.43 16.23 3.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.71 145.07 55.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.331 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -73.8 167.99 20.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HA ' HD12 ' A' ' 24' ' ' LEU . 42.8 m-20 -54.27 -42.29 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -58.01 -49.35 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -59.89 -53.5 57.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 21' ' ' ASP . 5.7 mt -54.12 -45.44 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -61.19 -62.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -41.18 -57.64 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.41 77.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.472 ' CD1' HG22 ' A' ' 52' ' ' ILE . 22.1 t80 -50.0 -49.36 50.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.957 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' LEU . 71.8 mtt-85 -60.08 -67.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -38.78 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD11 ' O ' ' A' ' 13' ' ' LEU . 88.7 mt -84.52 -64.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.48 -41.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.903 HD23 ' HE2' ' A' ' 39' ' ' LYS . 3.3 mp -66.76 -36.63 82.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' LEU . 53.4 tttt -77.06 -10.27 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.474 ' CD2' HD11 ' A' ' 52' ' ' ILE . 92.0 m-85 -118.41 -12.29 9.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.53 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.3 t-80 -56.31 140.67 71.75 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.71 -22.89 31.66 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -91.13 -37.24 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.903 ' HE2' HD23 ' A' ' 33' ' ' LEU . 15.2 mtpp -81.35 -51.93 7.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 42' ' ' ALA . 52.3 t30 -83.91 -57.69 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 63.73 40.16 7.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -124.58 146.56 52.9 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.574 0.702 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.2 34.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 0.0 112.351 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.39 -42.29 2.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.81 -53.67 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.465 HG21 ' HB3' ' A' ' 37' ' ' PRO . 1.6 m -54.54 -40.8 69.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.12 -23.37 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.48 -38.74 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -42.04 -44.22 3.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' CG ' ' N ' ' A' ' 51' ' ' ALA . 9.3 ptmt -55.52 -45.32 77.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 50' ' ' LYS . . . -64.06 -55.8 19.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD11 ' CD2' ' A' ' 35' ' ' PHE . 1.9 mt -34.06 -54.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ALA . . . -52.9 -64.43 4.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 53' ' ' GLY . 24.9 m -35.89 -32.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 111.123 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . -77.61 -56.57 4.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.8 -46.03 78.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.92 -29.47 28.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 59' ' ' LEU . 20.0 t -77.41 -69.82 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.59 HD13 ' CE1' ' A' ' 10' ' ' TYR . 14.1 mt -54.38 -48.45 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.9 p -41.95 -26.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 29.6 m-80 -101.69 142.78 25.29 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.639 0.733 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -35.93 11.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 64' ' ' LYS . 15.7 pt-20 -73.68 -45.55 51.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 63' ' ' GLU . 43.5 mttm -77.27 -15.56 59.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 55.4 ttt-85 -86.29 -63.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -51.44 -36.91 46.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -68.38 -33.88 75.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -74.2 -40.22 62.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.96 -38.6 72.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -71.82 -66.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -65.86 -65.58 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.82 125.8 5.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.1 t -45.91 120.91 2.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.894 0.378 . . . . 0.0 110.821 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -179.69 -73.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.03 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.722 2.281 . . . . 0.0 112.32 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.0 m -130.98 158.29 40.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 m -110.14 85.8 2.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.493 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -62.27 162.03 10.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -41.86 117.34 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.83 67.52 0.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -84.03 90.51 7.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 m -54.12 160.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.36 65.39 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -41.94 159.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 26.0 m-85 -76.8 -48.63 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.961 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 77.2 m-85 -52.12 -40.8 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -63.31 -59.01 5.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 52' ' ' ILE . 85.3 mt -38.73 -57.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.108 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.004 ' O ' HD11 ' A' ' 31' ' ' LEU . 11.6 mt -67.49 -46.09 73.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.89 53.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.54 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 24' ' ' LEU . 34.8 m -144.05 174.53 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.371 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 m -85.62 173.48 10.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 6.5 mpt_? -82.67 102.0 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.66 15.36 4.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.53 147.71 51.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 111.108 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.9 p -80.51 169.82 17.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -62.27 1.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -40.57 -47.43 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.71 -59.4 4.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 15' ' ' VAL . 11.5 mt -47.92 -42.85 28.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -59.2 -65.78 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.4 mttm -41.29 -56.83 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.97 -47.38 85.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.622 ' CE1' HG22 ' A' ' 52' ' ' ILE . 15.9 t80 -53.06 -53.34 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 30' ' ' ARG . 79.4 mtt-85 -53.79 -63.04 1.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.1 ttt180 -34.35 -37.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.004 HD11 ' O ' ' A' ' 13' ' ' LEU . 29.3 mt -75.27 -65.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.88 -46.42 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.9 -35.74 71.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 22.3 tttm -81.35 -30.0 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 85.3 m-85 -109.65 31.55 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.521 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 t-80 -86.18 140.57 34.61 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.621 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.9 Cg_endo -69.67 -36.53 10.89 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -84.2 10.62 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -132.39 -63.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.576 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 21.7 t-20 -74.44 127.16 32.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 41' ' ' HIS . 6.0 p80 -107.43 41.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.02 142.99 47.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 111.142 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 137.85 36.68 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.33 -41.5 2.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.576 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -54.04 -62.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.621 HG21 ' HB3' ' A' ' 37' ' ' PRO . 7.2 m -53.79 -46.52 71.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -48.06 -38.6 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.81 -47.81 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -40.78 -48.59 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.2 mmtm -48.17 -48.61 34.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.48 -46.08 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.622 HG22 ' CE1' ' A' ' 28' ' ' TYR . 8.7 mt -43.53 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' HA2' ' CZ ' ' A' ' 28' ' ' TYR . . . -37.32 -54.23 1.65 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' HG23 ' A' ' 58' ' ' VAL . 57.2 m -37.56 -46.73 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.788 0.327 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -57.55 8.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -48.81 -47.25 42.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.33 -42.74 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.51 HG13 ' HB3' ' A' ' 64' ' ' LYS . 84.2 t -65.77 -70.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 61' ' ' ASN . 25.0 mt -53.88 -56.27 19.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 42.8 t -36.62 -34.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.811 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 3.4 m120 -90.3 141.97 28.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.613 0.721 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -41.25 4.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.67 2.247 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -68.82 -47.59 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HB3' HG13 ' A' ' 58' ' ' VAL . 43.8 mttm -71.99 -21.16 61.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 60.3 ttt180 -82.63 -41.93 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 67' ' ' GLN . 9.1 pttp -64.28 -33.87 76.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 6.3 pt20 -72.68 -33.59 66.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 11.3 t80 -75.57 -49.72 17.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.6 -34.69 74.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -82.06 -60.58 2.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -90.53 -50.01 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 68' ' ' TYR . . . -62.16 -124.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLY . 34.6 p -34.6 125.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -172.45 -154.42 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.73 3.27 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.0 m -76.63 48.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.0 m -64.57 116.39 6.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -125.08 -44.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -63.83 122.48 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.62 50.31 1.42 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.5 t -60.21 135.88 57.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -164.17 158.59 19.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.4 108.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.474 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.38 122.47 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.84 0.353 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -46.02 -49.44 16.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -53.97 -34.44 59.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -73.83 -47.76 36.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.7 -44.32 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' O ' HD11 ' A' ' 31' ' ' LEU . 30.5 mt -78.46 -38.02 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.2 54.51 1.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.438 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.27 -179.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.153 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.7 m -88.48 158.03 18.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 92.4 mtm-85 -71.09 99.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.92 16.85 3.52 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 23' ' ' ASP . . . -67.24 134.55 51.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -66.23 166.1 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -47.75 -57.65 5.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -44.94 -53.2 7.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.546 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 6.9 t70 -54.26 -55.92 23.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 21' ' ' ASP . 8.4 mt -54.33 -36.6 63.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.83 -64.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -45.08 -52.84 8.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.09 -53.87 53.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.523 ' CD1' HG22 ' A' ' 52' ' ' ILE . 43.9 t80 -51.76 -44.85 63.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.533 ' O ' HD12 ' A' ' 33' ' ' LEU . 22.5 mtp180 -62.01 -61.71 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -40.45 -26.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.681 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.8 mt -90.36 -57.2 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.22 -49.7 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 29' ' ' ARG . 5.3 mp -58.41 -42.18 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' A' ' 35' ' ' PHE . 23.9 tttm -71.47 -21.23 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 98.0 m-85 -120.49 22.96 11.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 6.1 t-80 -81.27 140.66 49.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' HB3' HG21 ' A' ' 46' ' ' THR . 54.5 Cg_endo -69.73 -7.05 20.07 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -111.37 -47.92 3.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' HD23 ' A' ' 33' ' ' LEU . 38.7 mttt -77.86 -28.32 50.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.503 ' ND2' ' CB ' ' A' ' 45' ' ' ALA . 5.3 t30 -112.32 107.09 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 41' ' ' HIS . 8.3 p80 -94.48 48.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.85 141.63 41.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.571 0.701 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 139.46 40.08 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.66 -43.42 2.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.503 ' CB ' ' ND2' ' A' ' 40' ' ' ASN . . . -49.86 -50.05 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -60.27 -56.41 21.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -38.82 -35.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.51 67.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' THR . 15.4 t80 -43.03 -44.29 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 51' ' ' ALA . 10.5 ptmt -54.44 -39.77 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 50' ' ' LYS . . . -71.33 -34.71 70.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 28' ' ' TYR . 3.0 mt -64.48 -60.14 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.63 -44.65 6.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.2 m -52.64 -50.86 62.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.769 0.318 . . . . 0.0 111.139 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -58.91 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.417 ' O ' ' CB ' ' A' ' 60' ' ' SER . 65.2 t80 -47.49 -48.86 26.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.64 -51.81 45.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.25 -68.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.61 HD21 ' CE2' ' A' ' 68' ' ' TYR . 59.4 mt -52.06 -61.71 2.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.417 ' CB ' ' O ' ' A' ' 56' ' ' TYR . 80.4 p -37.9 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 59' ' ' LEU . 21.5 t-20 -95.0 140.07 22.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.433 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 53.7 Cg_endo -69.76 -51.11 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.378 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 26.2 mm-40 -62.6 -59.36 5.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 61' ' ' ASN . 10.4 mtpt -51.18 -34.5 31.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.9 ttt-85 -65.45 -43.98 88.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -47.8 -57.8 5.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 5.5 pt20 -56.28 -38.08 70.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.61 ' CE2' HD21 ' A' ' 59' ' ' LEU . 12.2 t80 -66.07 -35.86 81.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.98 -29.04 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.12 -63.63 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 72' ' ' GLY . 44.2 m-85 -91.51 -62.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 71' ' ' PHE . . . -35.74 -45.14 0.75 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.471 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.2 t -123.06 140.89 52.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.862 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -128.04 -96.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.68 59.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.7 t -54.38 115.56 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.1 p -130.81 158.07 41.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.519 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 p -151.7 124.62 8.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -145.75 142.62 29.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.61 -169.67 14.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -68.74 175.53 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -134.28 -45.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.3 -52.19 0.16 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.45 157.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.768 0.318 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -63.63 -53.03 57.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' CD2' ' HG2' ' A' ' 17' ' ' ARG . 30.0 m-85 -46.1 -42.63 13.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -65.44 -57.35 8.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -40.86 -39.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.684 ' O ' HD11 ' A' ' 31' ' ' LEU . 28.2 mt -81.69 -41.73 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.53 44.09 1.61 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.1 m -137.2 174.47 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 111.113 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.7 m -84.28 168.56 15.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' CD2' ' A' ' 10' ' ' TYR . 41.2 mtt180 -80.53 101.14 8.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.7 16.89 3.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.35 140.0 57.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -70.98 162.88 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 24' ' ' LEU . 3.4 m-20 -45.63 -48.21 14.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -50.64 -54.76 20.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -56.07 -57.72 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 21' ' ' ASP . 7.8 mt -49.47 -37.73 27.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -68.05 -69.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -42.0 -55.4 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.79 -50.49 70.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.503 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.5 t80 -52.48 -54.8 27.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.9 mtp180 -58.74 -58.8 7.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' ARG . 13.4 ttm-85 -35.55 -31.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.684 HD11 ' O ' ' A' ' 13' ' ' LEU . 70.1 mt -83.21 -62.91 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.46 -49.36 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.6 -34.72 67.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE2' ' CE1' ' A' ' 35' ' ' PHE . 32.1 tttt -83.99 -27.21 28.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.678 ' HD1' ' HB1' ' A' ' 45' ' ' ALA . 42.1 m-85 -111.87 32.63 5.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.525 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 4.5 t-80 -88.76 140.66 29.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.582 0.706 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HB3' HG21 ' A' ' 46' ' ' THR . 53.5 Cg_endo -69.85 -14.04 35.28 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.357 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -94.46 -40.47 9.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -82.96 -51.58 7.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 14.2 t-20 -85.83 -44.1 12.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 40' ' ' ASN . 25.9 p80 43.96 38.29 2.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.72 152.43 65.67 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 146.32 59.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.384 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 89.17 -54.32 3.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HB1' ' HD1' ' A' ' 35' ' ' PHE . . . -65.45 -61.28 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.607 HG21 ' HB3' ' A' ' 37' ' ' PRO . 24.6 m -47.95 -64.75 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' THR . 25.9 mm-40 -34.96 -45.85 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . -53.24 -45.8 68.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 46' ' ' THR . 7.8 t80 -41.77 -51.22 4.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -44.02 -46.79 8.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.47 -53.02 48.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.118 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.503 HG22 ' CD1' ' A' ' 28' ' ' TYR . 4.6 mt -38.46 -64.09 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' HA2' ' CE1' ' A' ' 28' ' ' TYR . . . -43.85 -58.61 4.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.523 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.0 m -34.31 -41.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.132 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.55 -58.93 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.048 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' CD2' ' CD2' ' A' ' 28' ' ' TYR . 76.0 t80 -47.34 -44.95 24.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.969 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.49 -46.29 73.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.082 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.753 HG13 ' HB3' ' A' ' 64' ' ' LYS . 92.3 t -57.58 -71.38 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD12 HD22 ' A' ' 24' ' ' LEU . 30.7 mt -51.79 -51.53 55.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.8 t -46.69 -28.58 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' O ' ' CB ' ' A' ' 65' ' ' ARG . 6.4 t30 -96.08 140.29 22.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -29.31 24.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . 6.2 mp0 -78.33 -49.09 14.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.753 ' HB3' HG13 ' A' ' 58' ' ' VAL . 45.4 mttm -73.53 -20.9 60.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASN . 69.1 ttt180 -85.24 -53.01 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -48.92 -36.53 17.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 68' ' ' TYR . 7.2 pt20 -71.38 -34.53 70.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.474 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 7.7 t80 -73.88 -38.41 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.95 -27.88 67.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -94.59 -59.45 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -105.72 52.32 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -160.4 -33.31 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -118.24 -41.7 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.85 -100.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.457 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.0 15.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.5 p -74.78 92.72 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m 51.28 51.19 17.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.534 179.973 . . . . . . . . 0 0 . 1 stop_ save_